N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide

C29H35N3O4S — CID 66710111

IUPACN-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide
SMILESCc1c(-c2ccccc2)[nH]c2cc(S(=O)(=O)NC3CCC(C(=O)N4CCOC[C@@H]4C4CC4)CC3)ccc12
InChIInChI=1S/C29H35N3O4S/c1-19-25-14-13-24(17-26(25)30-28(19)21-5-3-2-4-6-21)37(34,35)31-23-11-9-22(10-12-23)29(33)32-15-16-36-18-27(32)20-7-8-20/h2-6,13-14,17,20,22-23,27,30-31H,7-12,15-16,18H2,1H3/t22?,23?,27-/m1/s1
InChIKeyRBXLTYBDHRHVBS-IJQWPOMLSA-N
MW521.68 g/mol
LogP4.62
Rot. Bonds6

About N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide

N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide (PubChem CID 66710111) has the molecular formula C29H35N3O4S and a molecular weight of 521.68 g/mol. Its IUPAC name is N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide
PubChem CID66710111
Molecular FormulaC29H35N3O4S
Molecular Weight521.68 g/mol
Exact Mass521.23
IUPAC NameN-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide
SMILESCc1c(-c2ccccc2)[nH]c2cc(S(=O)(=O)NC3CCC(C(=O)N4CCOC[C@@H]4C4CC4)CC3)ccc12
InChIInChI=1S/C29H35N3O4S/c1-19-25-14-13-24(17-26(25)30-28(19)21-5-3-2-4-6-21)37(34,35)31-23-11-9-22(10-12-23)29(33)32-15-16-36-18-27(32)20-7-8-20/h2-6,13-14,17,20,22-23,27,30-31H,7-12,15-16,18H2,1H3/t22?,23?,27-/m1/s1
InChIKeyRBXLTYBDHRHVBS-IJQWPOMLSA-N
XLogP4.62
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.68
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide?
The IUPAC name of N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide (CID 66710111) is N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide?
The canonical SMILES for N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide is Cc1c(-c2ccccc2)[nH]c2cc(S(=O)(=O)NC3CCC(C(=O)N4CCOC[C@@H]4C4CC4)CC3)ccc12.
What is the InChIKey of N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide?
The InChIKey is RBXLTYBDHRHVBS-IJQWPOMLSA-N. The full InChI is InChI=1S/C29H35N3O4S/c1-19-25-14-13-24(17-26(25)30-28(19)21-5-3-2-4-6-21)37(34,35)31-23-11-9-22(10-12-23)29(33)32-15-16-36-18-27(32)20-7-8-20/h2-6,13-14,17,20,22-23,27,30-31H,7-12,15-16,18H2,1H3/t22?,23?,27-/m1/s1.
What are the key properties of N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide?
N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide has a molecular weight of 521.68 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide is sourced from PubChem (CID 66710111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).