2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide

C31H41N3O4S — CID 67208084

About 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide

2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide (PubChem CID 67208084) has the molecular formula C31H41N3O4S and a molecular weight of 551.75 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide.

Molecular Properties

• Compound Name: 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
• PubChem CID: 67208084
• Molecular Formula: C31H41N3O4S
• Molecular Weight: 551.75 g/mol
• Exact Mass: 551.28
• IUPAC Name: 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
• SMILES: CCc1ccc(-c2cc3ccc(S(=O)(=O)NC4CCC(C(=O)N5CCOC[C@@H]5C(C)C)CC4)cc3n2C)cc1
• InChI: InChI=1S/C31H41N3O4S/c1-5-22-6-8-23(9-7-22)28-18-25-12-15-27(19-29(25)33(28)4)39(36,37)32-26-13-10-24(11-14-26)31(35)34-16-17-38-20-30(34)21(2)3/h6-9,12,15,18-19,21,24,26,30,32H,5,10-11,13-14,16-17,20H2,1-4H3/t24?,26?,30-/m1/s1
• InChIKey: MTUQDLHKCXRLNM-TVZUZJEFSA-N
• XLogP: 5.13
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.75
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?

The IUPAC name of 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide (CID 67208084) is 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide.

What is the SMILES notation for 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?

The canonical SMILES for 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide is CCc1ccc(-c2cc3ccc(S(=O)(=O)NC4CCC(C(=O)N5CCOC[C@@H]5C(C)C)CC4)cc3n2C)cc1.

What is the InChIKey of 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?

The InChIKey is MTUQDLHKCXRLNM-TVZUZJEFSA-N. The full InChI is InChI=1S/C31H41N3O4S/c1-5-22-6-8-23(9-7-22)28-18-25-12-15-27(19-29(25)33(28)4)39(36,37)32-26-13-10-24(11-14-26)31(35)34-16-17-38-20-30(34)21(2)3/h6-9,12,15,18-19,21,24,26,30,32H,5,10-11,13-14,16-17,20H2,1-4H3/t24?,26?,30-/m1/s1.

What are the key properties of 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide?

2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide has a molecular weight of 551.75 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide is sourced from PubChem (CID 67208084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).