3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide

C95H101Cl3N8O15S3 — CID 160925680

About 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide

3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide (PubChem CID 160925680) has the molecular formula C95H101Cl3N8O15S3 and a molecular weight of 1797.45 g/mol. Its IUPAC name is 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide
• PubChem CID: 160925680
• Molecular Formula: C95H101Cl3N8O15S3
• Molecular Weight: 1797.45 g/mol
• Exact Mass: 1794.56
• IUPAC Name: 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide
• SMILES: CCOc1ccc(Oc2ccc(S(=O)(=O)NC(=O)c3[nH]c4ccccc4c3CCCOc3cc(C)c(Cl)c(C)c3)cc2)cc1.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCCNC3CCCCC3)[nH]c3ccccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccc(OCc4ccccc4)nc3)[nH]c3ccccc23)cc(C)c1Cl
• InChI: InChI=1S/C34H33ClN2O6S.C32H30ClN3O5S.C29H38ClN3O4S/c1-4-41-24-11-13-25(14-12-24)43-26-15-17-28(18-16-26)44(39,40)37-34(38)33-30(29-8-5-6-10-31(29)36-33)9-7-19-42-27-20-22(2)32(35)23(3)21-27;1-21-17-24(18-22(2)30(21)33)40-16-8-12-27-26-11-6-7-13-28(26)35-31(27)32(37)36-42(38,39)25-14-15-29(34-19-25)41-20-23-9-4-3-5-10-23;1-20-18-23(19-21(2)27(20)30)37-16-8-13-25-24-12-6-7-14-26(24)32-28(25)29(34)33-38(35,36)17-9-15-31-22-10-4-3-5-11-22/h5-6,8,10-18,20-21,36H,4,7,9,19H2,1-3H3,(H,37,38);3-7,9-11,13-15,17-19,35H,8,12,16,20H2,1-2H3,(H,36,37);6-7,12,14,18-19,22,31-32H,3-5,8-11,13,15-17H2,1-2H3,(H,33,34)
• InChIKey: SSPLGUZCTBUQOL-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 317.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 35
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1797.45
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide?

The IUPAC name of 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide (CID 160925680) is 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide?

The canonical SMILES for 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide is CCOc1ccc(Oc2ccc(S(=O)(=O)NC(=O)c3[nH]c4ccccc4c3CCCOc3cc(C)c(Cl)c(C)c3)cc2)cc1.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCCNC3CCCCC3)[nH]c3ccccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccc(OCc4ccccc4)nc3)[nH]c3ccccc23)cc(C)c1Cl.

What is the InChIKey of 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide?

The InChIKey is SSPLGUZCTBUQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClN2O6S.C32H30ClN3O5S.C29H38ClN3O4S/c1-4-41-24-11-13-25(14-12-24)43-26-15-17-28(18-16-26)44(39,40)37-34(38)33-30(29-8-5-6-10-31(29)36-33)9-7-19-42-27-20-22(2)32(35)23(3)21-27;1-21-17-24(18-22(2)30(21)33)40-16-8-12-27-26-11-6-7-13-28(26)35-31(27)32(37)36-42(38,39)25-14-15-29(34-19-25)41-20-23-9-4-3-5-10-23;1-20-18-23(19-21(2)27(20)30)37-16-8-13-25-24-12-6-7-14-26(24)32-28(25)29(34)33-38(35,36)17-9-15-31-22-10-4-3-5-11-22/h5-6,8,10-18,20-21,36H,4,7,9,19H2,1-3H3,(H,37,38);3-7,9-11,13-15,17-19,35H,8,12,16,20H2,1-2H3,(H,36,37);6-7,12,14,18-19,22,31-32H,3-5,8-11,13,15-17H2,1-2H3,(H,33,34).

What are the key properties of 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide?

3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide has a molecular weight of 1797.45 g/mol, XLogP of 20.12, 35 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[3-(cyclohexylamino)propylsulfonyl]-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-(4-ethoxyphenoxy)phenyl]sulfonyl-1H-indole-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-phenylmethoxy-3-pyridinyl)sulfonyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 160925680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).