2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid

C101H109F5N10O15S3 — CID 160965362

About 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid

2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid (PubChem CID 160965362) has the molecular formula C101H109F5N10O15S3 and a molecular weight of 1894.23 g/mol. Its IUPAC name is 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid
• PubChem CID: 160965362
• Molecular Formula: C101H109F5N10O15S3
• Molecular Weight: 1894.23 g/mol
• Exact Mass: 1892.72
• IUPAC Name: 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid
• SMILES: Cc1c(C2CCC(NS(=O)(=O)c3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1ccc(CNC(=O)NC2CC=C(c3c(C)n(CC(=O)O)c4ccc(F)cc34)CC2)c(F)c1.Cc1ccc(S(=O)(=O)N(C)C2CCC(c3c(C)n(CC(=O)O)c4ccc(F)cc34)CC2)cc1.Cc1ccc(S(=O)(=O)NC2CCC(c3c(C)n(CC(=O)O)c4ccc(F)cc34)CC2)cc1
• InChI: InChI=1S/C26H27F2N3O3.C26H26FN3O4S.C25H29FN2O4S.C24H27FN2O4S/c1-15-3-4-18(22(28)11-15)13-29-26(34)30-20-8-5-17(6-9-20)25-16(2)31(14-24(32)33)23-10-7-19(27)12-21(23)25;1-16-26(21-14-19(27)9-12-23(21)30(16)15-25(31)32)18-6-10-20(11-7-18)29-35(33,34)24-13-8-17-4-2-3-5-22(17)28-24;1-16-4-11-21(12-5-16)33(31,32)27(3)20-9-6-18(7-10-20)25-17(2)28(15-24(29)30)23-13-8-19(26)14-22(23)25;1-15-3-10-20(11-4-15)32(30,31)26-19-8-5-17(6-9-19)24-16(2)27(14-23(28)29)22-12-7-18(25)13-21(22)24/h3-5,7,10-12,20H,6,8-9,13-14H2,1-2H3,(H,32,33)(H2,29,30,34);2-5,8-9,12-14,18,20,29H,6-7,10-11,15H2,1H3,(H,31,32);4-5,8,11-14,18,20H,6-7,9-10,15H2,1-3H3,(H,29,30);3-4,7,10-13,17,19,26H,5-6,8-9,14H2,1-2H3,(H,28,29)
• InChIKey: SXNXNAPUGGGGCE-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 352.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1894.23
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid?

The IUPAC name of 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid (CID 160965362) is 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid.

What is the SMILES notation for 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid?

The canonical SMILES for 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid is Cc1c(C2CCC(NS(=O)(=O)c3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1ccc(CNC(=O)NC2CC=C(c3c(C)n(CC(=O)O)c4ccc(F)cc34)CC2)c(F)c1.Cc1ccc(S(=O)(=O)N(C)C2CCC(c3c(C)n(CC(=O)O)c4ccc(F)cc34)CC2)cc1.Cc1ccc(S(=O)(=O)NC2CCC(c3c(C)n(CC(=O)O)c4ccc(F)cc34)CC2)cc1.

What is the InChIKey of 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid?

The InChIKey is SXNXNAPUGGGGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3.C26H26FN3O4S.C25H29FN2O4S.C24H27FN2O4S/c1-15-3-4-18(22(28)11-15)13-29-26(34)30-20-8-5-17(6-9-20)25-16(2)31(14-24(32)33)23-10-7-19(27)12-21(23)25;1-16-26(21-14-19(27)9-12-23(21)30(16)15-25(31)32)18-6-10-20(11-7-18)29-35(33,34)24-13-8-17-4-2-3-5-22(17)28-24;1-16-4-11-21(12-5-16)33(31,32)27(3)20-9-6-18(7-10-20)25-17(2)28(15-24(29)30)23-13-8-19(26)14-22(23)25;1-15-3-10-20(11-4-15)32(30,31)26-19-8-5-17(6-9-19)24-16(2)27(14-23(28)29)22-12-7-18(25)13-21(22)24/h3-5,7,10-12,20H,6,8-9,13-14H2,1-2H3,(H,32,33)(H2,29,30,34);2-5,8-9,12-14,18,20,29H,6-7,10-11,15H2,1H3,(H,31,32);4-5,8,11-14,18,20H,6-7,9-10,15H2,1-3H3,(H,29,30);3-4,7,10-13,17,19,26H,5-6,8-9,14H2,1-2H3,(H,28,29).

What are the key properties of 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid?

2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid has a molecular weight of 1894.23 g/mol, XLogP of 19.10, 24 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-fluoro-3-[4-[(2-fluoro-4-methylphenyl)methylcarbamoylamino]cyclohexen-1-yl]-2-methylindol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[methyl-(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinolin-2-ylsulfonylamino)cyclohexyl]indol-1-yl]acetic acid is sourced from PubChem (CID 160965362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).