1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C77H110N12O13S4 — CID 157249915

About 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 157249915) has the molecular formula C77H110N12O13S4 and a molecular weight of 1540.07 g/mol. Its IUPAC name is 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

• Compound Name: 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
• PubChem CID: 157249915
• Molecular Formula: C77H110N12O13S4
• Molecular Weight: 1540.07 g/mol
• Exact Mass: 1538.72
• IUPAC Name: 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
• SMILES: CCN1CC(CS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CCN1CCC(CS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CCN1CCC(CS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1.CCNC(=O)CS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
• InChI: InChI=1S/C21H31N3O3S.C20H29N3O3S.C19H27N3O3S.C17H23N3O4S/c1-2-24-11-9-15(10-12-24)14-28(26,27)23-21(25)22-20-18-7-3-5-16(18)13-17-6-4-8-19(17)20;1-2-23-10-9-14(12-23)13-27(25,26)22-20(24)21-19-17-7-3-5-15(17)11-16-6-4-8-18(16)19;1-2-22-10-13(11-22)12-26(24,25)21-19(23)20-18-16-7-3-5-14(16)9-15-6-4-8-17(15)18;1-2-18-15(21)10-25(23,24)20-17(22)19-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h13,15H,2-12,14H2,1H3,(H2,22,23,25);11,14H,2-10,12-13H2,1H3,(H2,21,22,24);9,13H,2-8,10-12H2,1H3,(H2,20,21,23);9H,2-8,10H2,1H3,(H,18,21)(H2,19,20,22)
• InChIKey: AWFIWBSBOHOJDP-UHFFFAOYSA-N
• XLogP: 8.62
• TPSA: 339.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1540.07
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The IUPAC name of 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 157249915) is 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

What is the SMILES notation for 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The canonical SMILES for 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CCN1CC(CS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CCN1CCC(CS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CCN1CCC(CS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1.CCNC(=O)CS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.

What is the InChIKey of 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The InChIKey is AWFIWBSBOHOJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3S.C20H29N3O3S.C19H27N3O3S.C17H23N3O4S/c1-2-24-11-9-15(10-12-24)14-28(26,27)23-21(25)22-20-18-7-3-5-16(18)13-17-6-4-8-19(17)20;1-2-23-10-9-14(12-23)13-27(25,26)22-20(24)21-19-17-7-3-5-15(17)11-16-6-4-8-18(16)19;1-2-22-10-13(11-22)12-26(24,25)21-19(23)20-18-16-7-3-5-14(16)9-15-6-4-8-17(15)18;1-2-18-15(21)10-25(23,24)20-17(22)19-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h13,15H,2-12,14H2,1H3,(H2,22,23,25);11,14H,2-10,12-13H2,1H3,(H2,21,22,24);9,13H,2-8,10-12H2,1H3,(H2,20,21,23);9H,2-8,10H2,1H3,(H,18,21)(H2,19,20,22).

What are the key properties of 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 1540.07 g/mol, XLogP of 8.62, 20 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 157249915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).