1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea

C141H196N22O23S7 — CID 161191252

IUPAC1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea
SMILESCC(=O)N1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CC(=O)N1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CC(C)N1CC(N2CCC(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)C2)C1.CCN1CC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CCN1[C@@H]2CC[C@H]1CC(S(=O)(=O)NC(=O)Nc1c3c(cc4c1CCC4)CCC3)C2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CCCN(CC2CC2)C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CCNC1
InChIInChI=1S/C23H34N4O3S.2C22H31N3O3S.C20H27N3O4S.C19H25N3O4S.C18H25N3O3S.C17H23N3O3S/c1-15(2)27-12-18(13-27)26-10-9-19(14-26)31(29,30)25-23(28)24-22-20-7-3-5-16(20)11-17-6-4-8-21(17)22;26-22(23-21-19-7-1-4-16(19)12-17-5-2-8-20(17)21)24-29(27,28)18-6-3-11-25(14-18)13-15-9-10-15;1-2-25-16-9-10-17(25)13-18(12-16)29(27,28)24-22(26)23-21-19-7-3-5-14(19)11-15-6-4-8-20(15)21;1-13(24)23-10-4-7-16(12-23)28(26,27)22-20(25)21-19-17-8-2-5-14(17)11-15-6-3-9-18(15)19;1-12(23)22-9-8-15(11-22)27(25,26)21-19(24)20-18-16-6-2-4-13(16)10-14-5-3-7-17(14)18;1-2-21-10-14(11-21)25(23,24)20-18(22)19-17-15-7-3-5-12(15)9-13-6-4-8-16(13)17;21-17(20-24(22,23)13-7-8-18-10-13)19-16-14-5-1-3-11(14)9-12-4-2-6-15(12)16/h11,15,18-19H,3-10,12-14H2,1-2H3,(H2,24,25,28);12,15,18H,1-11,13-14H2,(H2,23,24,26);11,16-18H,2-10,12-13H2,1H3,(H2,23,24,26);11,16H,2-10,12H2,1H3,(H2,21,22,25);10,15H,2-9,11H2,1H3,(H2,20,21,24);9,14H,2-8,10-11H2,1H3,(H2,19,20,22);9,13,18H,1-8,10H2,(H2,19,20,21)/t;;16-,17+,18?;;;;
InChIKeyUTTFHOPMUXVJGE-BLDVOHHDSA-N
MW2791.72 g/mol
LogP15.56
Rot. Bonds27

About 1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea

1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea (PubChem CID 161191252) has the molecular formula C141H196N22O23S7 and a molecular weight of 2791.72 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea
PubChem CID161191252
Molecular FormulaC141H196N22O23S7
Molecular Weight2791.72 g/mol
Exact Mass2789.29
IUPAC Name1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea
SMILESCC(=O)N1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CC(=O)N1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CC(C)N1CC(N2CCC(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)C2)C1.CCN1CC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CCN1[C@@H]2CC[C@H]1CC(S(=O)(=O)NC(=O)Nc1c3c(cc4c1CCC4)CCC3)C2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CCCN(CC2CC2)C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CCNC1
InChIInChI=1S/C23H34N4O3S.2C22H31N3O3S.C20H27N3O4S.C19H25N3O4S.C18H25N3O3S.C17H23N3O3S/c1-15(2)27-12-18(13-27)26-10-9-19(14-26)31(29,30)25-23(28)24-22-20-7-3-5-16(20)11-17-6-4-8-21(17)22;26-22(23-21-19-7-1-4-16(19)12-17-5-2-8-20(17)21)24-29(27,28)18-6-3-11-25(14-18)13-15-9-10-15;1-2-25-16-9-10-17(25)13-18(12-16)29(27,28)24-22(26)23-21-19-7-3-5-14(19)11-15-6-4-8-20(15)21;1-13(24)23-10-4-7-16(12-23)28(26,27)22-20(25)21-19-17-8-2-5-14(17)11-15-6-3-9-18(15)19;1-12(23)22-9-8-15(11-22)27(25,26)21-19(24)20-18-16-6-2-4-13(16)10-14-5-3-7-17(14)18;1-2-21-10-14(11-21)25(23,24)20-18(22)19-17-15-7-3-5-12(15)9-13-6-4-8-16(13)17;21-17(20-24(22,23)13-7-8-18-10-13)19-16-14-5-1-3-11(14)9-12-4-2-6-15(12)16/h11,15,18-19H,3-10,12-14H2,1-2H3,(H2,24,25,28);12,15,18H,1-11,13-14H2,(H2,23,24,26);11,16-18H,2-10,12-13H2,1H3,(H2,23,24,26);11,16H,2-10,12H2,1H3,(H2,21,22,25);10,15H,2-9,11H2,1H3,(H2,20,21,24);9,14H,2-8,10-11H2,1H3,(H2,19,20,22);9,13,18H,1-8,10H2,(H2,19,20,21)/t;;16-,17+,18?;;;;
InChIKeyUTTFHOPMUXVJGE-BLDVOHHDSA-N
XLogP15.56
TPSA595.74 Ų
H-Bond Donors15
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002791.72
LogP ≤ 515.56
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1029

Analyze 1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea with MolForge

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Related Compounds

CID 175724097
CID 175724097
CID 175724048
CID 175724048
1-(1-cyclopropylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;molecular hydrogen
CID 142513099
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methylsulfamoyl]urea
CID 164793573
1-[1-(2-fluoroethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137402505
1-(1-cyclohexylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403138
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-ylmethyl)azetidin-3-yl]sulfonylurea
CID 137402914
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(5S)-8-(1-methylazetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]urea
CID 155120766
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxypropyl)azetidin-3-yl]sulfonylurea
CID 137403185
CID 175724043
CID 175724043
1-[1-(2-azidoethyl)azetidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopentylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)azetidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-methylpropyl)azetidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]sulfonylurea
CID 167628205
1-(1-ethyl-5-oxopyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(1R,5S)-8-(1-methylazetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-2-ylmethyl)azetidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-ylmethyl)azetidin-3-yl]sulfonylurea
CID 167678688

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea?
The IUPAC name of 1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea (CID 161191252) is 1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea?
The canonical SMILES for 1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea is CC(=O)N1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CC(=O)N1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CC(C)N1CC(N2CCC(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)C2)C1.CCN1CC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CCN1[C@@H]2CC[C@H]1CC(S(=O)(=O)NC(=O)Nc1c3c(cc4c1CCC4)CCC3)C2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CCCN(CC2CC2)C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CCNC1.
What is the InChIKey of 1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea?
The InChIKey is UTTFHOPMUXVJGE-BLDVOHHDSA-N. The full InChI is InChI=1S/C23H34N4O3S.2C22H31N3O3S.C20H27N3O4S.C19H25N3O4S.C18H25N3O3S.C17H23N3O3S/c1-15(2)27-12-18(13-27)26-10-9-19(14-26)31(29,30)25-23(28)24-22-20-7-3-5-16(20)11-17-6-4-8-21(17)22;26-22(23-21-19-7-1-4-16(19)12-17-5-2-8-20(17)21)24-29(27,28)18-6-3-11-25(14-18)13-15-9-10-15;1-2-25-16-9-10-17(25)13-18(12-16)29(27,28)24-22(26)23-21-19-7-3-5-14(19)11-15-6-4-8-20(15)21;1-13(24)23-10-4-7-16(12-23)28(26,27)22-20(25)21-19-17-8-2-5-14(17)11-15-6-3-9-18(15)19;1-12(23)22-9-8-15(11-22)27(25,26)21-19(24)20-18-16-6-2-4-13(16)10-14-5-3-7-17(14)18;1-2-21-10-14(11-21)25(23,24)20-18(22)19-17-15-7-3-5-12(15)9-13-6-4-8-16(13)17;21-17(20-24(22,23)13-7-8-18-10-13)19-16-14-5-1-3-11(14)9-12-4-2-6-15(12)16/h11,15,18-19H,3-10,12-14H2,1-2H3,(H2,24,25,28);12,15,18H,1-11,13-14H2,(H2,23,24,26);11,16-18H,2-10,12-13H2,1H3,(H2,23,24,26);11,16H,2-10,12H2,1H3,(H2,21,22,25);10,15H,2-9,11H2,1H3,(H2,20,21,24);9,14H,2-8,10-11H2,1H3,(H2,19,20,22);9,13,18H,1-8,10H2,(H2,19,20,21)/t;;16-,17+,18?;;;;.
What are the key properties of 1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea?
1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea has a molecular weight of 2791.72 g/mol, XLogP of 15.56, 27 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-acetylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[1-(cyclopropylmethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-3-ylsulfonylurea is sourced from PubChem (CID 161191252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).