1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea

C95H131ClF2N12O22S5 — CID 157454215

IUPAC1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea
SMILESCC(=O)N1C(=O)CCC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(Cl)cc1C(C)C.CC(=O)N1C(=O)CCC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCC(=O)C1.CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCC(=O)C1.O=C1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1
InChIInChI=1S/C19H26ClN3O5S.C19H26FN3O5S.C19H27FN2O4S.C19H24N2O4S.C19H28N2O4S/c2*1-10(2)14-8-13(20)9-15(11(3)4)18(14)21-19(26)22-29(27,28)17-7-6-16(25)23(17)12(5)24;1-11(2)16-8-13(20)9-17(12(3)4)18(16)21-19(24)22-27(25,26)15-7-5-6-14(23)10-15;22-14-6-3-7-15(11-14)26(24,25)21-19(23)20-18-16-8-1-4-12(16)10-13-5-2-9-17(13)18;1-12(2)16-9-6-10-17(13(3)4)18(16)20-19(23)21-26(24,25)15-8-5-7-14(22)11-15/h2*8-11,17H,6-7H2,1-5H3,(H2,21,22,26);8-9,11-12,15H,5-7,10H2,1-4H3,(H2,21,22,24);10,15H,1-9,11H2,(H2,20,21,23);6,9-10,12-13,15H,5,7-8,11H2,1-4H3,(H2,20,21,23)
InChIKeyBTDUFLOGQCIGQD-UHFFFAOYSA-N
MW2026.94 g/mol
LogP17.11
Rot. Bonds23

About 1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea

1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea (PubChem CID 157454215) has the molecular formula C95H131ClF2N12O22S5 and a molecular weight of 2026.94 g/mol. Its IUPAC name is 1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea.

Molecular Properties

Compound Name1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea
PubChem CID157454215
Molecular FormulaC95H131ClF2N12O22S5
Molecular Weight2026.94 g/mol
Exact Mass2024.78
IUPAC Name1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea
SMILESCC(=O)N1C(=O)CCC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(Cl)cc1C(C)C.CC(=O)N1C(=O)CCC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCC(=O)C1.CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCC(=O)C1.O=C1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1
InChIInChI=1S/C19H26ClN3O5S.C19H26FN3O5S.C19H27FN2O4S.C19H24N2O4S.C19H28N2O4S/c2*1-10(2)14-8-13(20)9-15(11(3)4)18(14)21-19(26)22-29(27,28)17-7-6-16(25)23(17)12(5)24;1-11(2)16-8-13(20)9-17(12(3)4)18(16)21-19(24)22-27(25,26)15-7-5-6-14(23)10-15;22-14-6-3-7-15(11-14)26(24,25)21-19(23)20-18-16-8-1-4-12(16)10-13-5-2-9-17(13)18;1-12(2)16-9-6-10-17(13(3)4)18(16)20-19(23)21-26(24,25)15-8-5-7-14(22)11-15/h2*8-11,17H,6-7H2,1-5H3,(H2,21,22,26);8-9,11-12,15H,5-7,10H2,1-4H3,(H2,21,22,24);10,15H,1-9,11H2,(H2,20,21,23);6,9-10,12-13,15H,5,7-8,11H2,1-4H3,(H2,20,21,23)
InChIKeyBTDUFLOGQCIGQD-UHFFFAOYSA-N
XLogP17.11
TPSA502.32 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002026.94
LogP ≤ 517.11
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea with MolForge

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Related Compounds

1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea
CID 158794547
1-(1-acetyl-2-oxopiperidin-4-yl)sulfonyl-3-[2-[2-[5-fluoro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonylcarbamoylamino]-3-propan-2-ylphenyl]propyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea
CID 137403093
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(1-methylpiperidin-4-yl)sulfonylurea
CID 137404121
1-[4-fluoro-2-[1-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-6-oxopiperidin-4-yl]propan-2-yl]-6-propan-2-ylphenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea
CID 137402964
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-methylazetidin-3-yl)sulfonylurea
CID 155121072
CID 175724097
CID 175724097
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea
CID 137402427
1-[2,6-di(propan-2-yl)phenyl]-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea
CID 137403689
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrrolidin-3-yl)sulfonylurea
CID 137403784
1-[1-(2-fluoroethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137402505
1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea
CID 137402945
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxypropyl)azetidin-3-yl]sulfonylurea
CID 137403185

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea?
The IUPAC name of 1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea (CID 157454215) is 1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea.
What is the SMILES notation for 1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea?
The canonical SMILES for 1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea is CC(=O)N1C(=O)CCC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(Cl)cc1C(C)C.CC(=O)N1C(=O)CCC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCC(=O)C1.CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCC(=O)C1.O=C1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.
What is the InChIKey of 1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea?
The InChIKey is BTDUFLOGQCIGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O5S.C19H26FN3O5S.C19H27FN2O4S.C19H24N2O4S.C19H28N2O4S/c2*1-10(2)14-8-13(20)9-15(11(3)4)18(14)21-19(26)22-29(27,28)17-7-6-16(25)23(17)12(5)24;1-11(2)16-8-13(20)9-17(12(3)4)18(16)21-19(24)22-27(25,26)15-7-5-6-14(23)10-15;22-14-6-3-7-15(11-14)26(24,25)21-19(23)20-18-16-8-1-4-12(16)10-13-5-2-9-17(13)18;1-12(2)16-9-6-10-17(13(3)4)18(16)20-19(23)21-26(24,25)15-8-5-7-14(22)11-15/h2*8-11,17H,6-7H2,1-5H3,(H2,21,22,26);8-9,11-12,15H,5-7,10H2,1-4H3,(H2,21,22,24);10,15H,1-9,11H2,(H2,20,21,23);6,9-10,12-13,15H,5,7-8,11H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea?
1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea has a molecular weight of 2026.94 g/mol, XLogP of 17.11, 23 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea is sourced from PubChem (CID 157454215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).