3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea

C106H131N23O22S5 — CID 159611849

IUPAC3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea
SMILESCN(C(=O)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)C1CCOCC1.CN(CCO)C(=O)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1CC1CCCO1.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1CCO.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(Cc2ncco2)n1
InChIInChI=1S/C24H31N5O5S.C22H28N4O4S.C21H27N5O5S.C20H21N5O4S.C19H24N4O4S/c1-28(17-9-11-34-12-10-17)23(30)20-14-21(26-29(20)2)35(32,33)27-24(31)25-22-18-7-3-5-15(18)13-16-6-4-8-19(16)22;1-14-23-20(13-26(14)12-17-7-4-10-30-17)31(28,29)25-22(27)24-21-18-8-2-5-15(18)11-16-6-3-9-19(16)21;1-25(9-10-27)20(28)17-12-18(23-26(17)2)32(30,31)24-21(29)22-19-15-7-3-5-13(15)11-14-6-4-8-16(14)19;26-20(22-19-15-5-1-3-13(15)11-14-4-2-6-16(14)19)24-30(27,28)18-7-9-25(23-18)12-17-21-8-10-29-17;1-12-20-17(11-23(12)8-9-24)28(26,27)22-19(25)21-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18/h13-14,17H,3-12H2,1-2H3,(H2,25,27,31);11,13,17H,2-10,12H2,1H3,(H2,24,25,27);11-12,27H,3-10H2,1-2H3,(H2,22,24,29);7-11H,1-6,12H2,(H2,22,24,26);10-11,24H,2-9H2,1H3,(H2,21,22,25)
InChIKeyMMUGIGFCSMYNAW-UHFFFAOYSA-N
MW2239.69 g/mol
LogP10.07
Rot. Bonds26

About 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea

3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea (PubChem CID 159611849) has the molecular formula C106H131N23O22S5 and a molecular weight of 2239.69 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea.

Molecular Properties

Compound Name3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea
PubChem CID159611849
Molecular FormulaC106H131N23O22S5
Molecular Weight2239.69 g/mol
Exact Mass2237.84
IUPAC Name3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea
SMILESCN(C(=O)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)C1CCOCC1.CN(CCO)C(=O)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1CC1CCCO1.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1CCO.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(Cc2ncco2)n1
InChIInChI=1S/C24H31N5O5S.C22H28N4O4S.C21H27N5O5S.C20H21N5O4S.C19H24N4O4S/c1-28(17-9-11-34-12-10-17)23(30)20-14-21(26-29(20)2)35(32,33)27-24(31)25-22-18-7-3-5-15(18)13-16-6-4-8-19(16)22;1-14-23-20(13-26(14)12-17-7-4-10-30-17)31(28,29)25-22(27)24-21-18-8-2-5-15(18)11-16-6-3-9-19(16)21;1-25(9-10-27)20(28)17-12-18(23-26(17)2)32(30,31)24-21(29)22-19-15-7-3-5-13(15)11-14-6-4-8-16(14)19;26-20(22-19-15-5-1-3-13(15)11-14-4-2-6-16(14)19)24-30(27,28)18-7-9-25(23-18)12-17-21-8-10-29-17;1-12-20-17(11-23(12)8-9-24)28(26,27)22-19(25)21-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18/h13-14,17H,3-12H2,1-2H3,(H2,25,27,31);11,13,17H,2-10,12H2,1H3,(H2,24,25,27);11-12,27H,3-10H2,1-2H3,(H2,22,24,29);7-11H,1-6,12H2,(H2,22,24,26);10-11,24H,2-9H2,1H3,(H2,21,22,25)
InChIKeyMMUGIGFCSMYNAW-UHFFFAOYSA-N
XLogP10.07
TPSA591.02 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002239.69
LogP ≤ 510.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea?
The IUPAC name of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea (CID 159611849) is 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea.
What is the SMILES notation for 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea?
The canonical SMILES for 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea is CN(C(=O)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C)C1CCOCC1.CN(CCO)C(=O)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1CC1CCCO1.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1CCO.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(Cc2ncco2)n1.
What is the InChIKey of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea?
The InChIKey is MMUGIGFCSMYNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O5S.C22H28N4O4S.C21H27N5O5S.C20H21N5O4S.C19H24N4O4S/c1-28(17-9-11-34-12-10-17)23(30)20-14-21(26-29(20)2)35(32,33)27-24(31)25-22-18-7-3-5-15(18)13-16-6-4-8-19(16)22;1-14-23-20(13-26(14)12-17-7-4-10-30-17)31(28,29)25-22(27)24-21-18-8-2-5-15(18)11-16-6-3-9-19(16)21;1-25(9-10-27)20(28)17-12-18(23-26(17)2)32(30,31)24-21(29)22-19-15-7-3-5-13(15)11-14-6-4-8-16(14)19;26-20(22-19-15-5-1-3-13(15)11-14-4-2-6-16(14)19)24-30(27,28)18-7-9-25(23-18)12-17-21-8-10-29-17;1-12-20-17(11-23(12)8-9-24)28(26,27)22-19(25)21-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18/h13-14,17H,3-12H2,1-2H3,(H2,25,27,31);11,13,17H,2-10,12H2,1H3,(H2,24,25,27);11-12,27H,3-10H2,1-2H3,(H2,22,24,29);7-11H,1-6,12H2,(H2,22,24,26);10-11,24H,2-9H2,1H3,(H2,21,22,25).
What are the key properties of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea?
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea has a molecular weight of 2239.69 g/mol, XLogP of 10.07, 26 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,1-dimethyl-N-(oxan-4-yl)pyrazole-5-carboxamide;3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)-2-methylimidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(1,3-oxazol-2-ylmethyl)pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 159611849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).