1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C105H137N19O12S4 — CID 157286278

About 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 157286278) has the molecular formula C105H137N19O12S4 and a molecular weight of 1985.64 g/mol. Its IUPAC name is 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

• Compound Name: 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
• PubChem CID: 157286278
• Molecular Formula: C105H137N19O12S4
• Molecular Weight: 1985.64 g/mol
• Exact Mass: 1983.96
• IUPAC Name: 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
• SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(Cc1ccccc1)Cc1ccn(C)n1.CC(C)n1ccc(CN(Cc2ccccc2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)N(CC2=NC(C)C=C2)Cc2ccccc2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)N(Cc2ccccc2)Cc2ccn(C)n2)c(C(C)C)c1
• InChI: InChI=1S/C27H33N5O3S.C27H36N4O3S.C26H35N5O3S.C25H33N5O3S/c1-19(2)32-15-14-23(29-32)18-31(17-20-8-4-3-5-9-20)36(34,35)30-27(33)28-26-24-12-6-10-21(24)16-22-11-7-13-25(22)26;1-18(2)24-14-20(5)15-25(19(3)4)26(24)29-27(32)30-35(33,34)31(16-22-10-8-7-9-11-22)17-23-13-12-21(6)28-23;1-18(2)23-14-20(5)15-24(19(3)4)25(23)27-26(32)29-35(33,34)31(16-21-10-8-7-9-11-21)17-22-12-13-30(6)28-22;1-18(2)22-12-9-13-23(19(3)4)24(22)26-25(31)28-34(32,33)30(16-20-10-7-6-8-11-20)17-21-14-15-29(5)27-21/h3-5,8-9,14-16,19H,6-7,10-13,17-18H2,1-2H3,(H2,28,30,33);7-15,18-19,21H,16-17H2,1-6H3,(H2,29,30,32);7-15,18-19H,16-17H2,1-6H3,(H2,27,29,32);6-15,18-19H,16-17H2,1-5H3,(H2,26,28,31)
• InChIKey: BAGRBIBLPYUXFP-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 379.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 35
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1985.64
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The IUPAC name of 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 157286278) is 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

What is the SMILES notation for 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The canonical SMILES for 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(Cc1ccccc1)Cc1ccn(C)n1.CC(C)n1ccc(CN(Cc2ccccc2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)N(CC2=NC(C)C=C2)Cc2ccccc2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)N(Cc2ccccc2)Cc2ccn(C)n2)c(C(C)C)c1.

What is the InChIKey of 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The InChIKey is BAGRBIBLPYUXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3S.C27H36N4O3S.C26H35N5O3S.C25H33N5O3S/c1-19(2)32-15-14-23(29-32)18-31(17-20-8-4-3-5-9-20)36(34,35)30-27(33)28-26-24-12-6-10-21(24)16-22-11-7-13-25(22)26;1-18(2)24-14-20(5)15-25(19(3)4)26(24)29-27(32)30-35(33,34)31(16-22-10-8-7-9-11-22)17-23-13-12-21(6)28-23;1-18(2)23-14-20(5)15-24(19(3)4)25(23)27-26(32)29-35(33,34)31(16-21-10-8-7-9-11-21)17-22-12-13-30(6)28-22;1-18(2)22-12-9-13-23(19(3)4)24(22)26-25(31)28-34(32,33)30(16-20-10-7-6-8-11-20)17-21-14-15-29(5)27-21/h3-5,8-9,14-16,19H,6-7,10-13,17-18H2,1-2H3,(H2,28,30,33);7-15,18-19,21H,16-17H2,1-6H3,(H2,29,30,32);7-15,18-19H,16-17H2,1-6H3,(H2,27,29,32);6-15,18-19H,16-17H2,1-5H3,(H2,26,28,31).

What are the key properties of 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 1985.64 g/mol, XLogP of 19.80, 35 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 157286278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).