4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide

C25H27N3O3S — CID 58694365

IUPAC4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide
SMILESCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC4CC4)cc3)n(CC3CCCC3)c2c1
InChIInChI=1S/C25H27N3O3S/c1-31-20-10-13-22-23(15-26)25(28(24(22)14-20)16-17-4-2-3-5-17)18-6-11-21(12-7-18)32(29,30)27-19-8-9-19/h6-7,10-14,17,19,27H,2-5,8-9,16H2,1H3
InChIKeyXMDVZMGYPUERCF-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.82
Rot. Bonds7

About 4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide

4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide (PubChem CID 58694365) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide
PubChem CID58694365
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide
SMILESCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC4CC4)cc3)n(CC3CCCC3)c2c1
InChIInChI=1S/C25H27N3O3S/c1-31-20-10-13-22-23(15-26)25(28(24(22)14-20)16-17-4-2-3-5-17)18-6-11-21(12-7-18)32(29,30)27-19-8-9-19/h6-7,10-14,17,19,27H,2-5,8-9,16H2,1H3
InChIKeyXMDVZMGYPUERCF-UHFFFAOYSA-N
XLogP4.82
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
CID 70369620
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
CID 59430592
N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide
CID 70844134
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
benzyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-methylperoxyindol-2-yl]phenyl]carbamate
CID 88979329
N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide
CID 66730852
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 58694533
ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58694483
N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 58694504
propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58039115
6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66733420
6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77181744

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide (CID 58694365) is 4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide is COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC4CC4)cc3)n(CC3CCCC3)c2c1.
What is the InChIKey of 4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is XMDVZMGYPUERCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-31-20-10-13-22-23(15-26)25(28(24(22)14-20)16-17-4-2-3-5-17)18-6-11-21(12-7-18)32(29,30)27-19-8-9-19/h6-7,10-14,17,19,27H,2-5,8-9,16H2,1H3.
What are the key properties of 4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide?
4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 449.58 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 58694365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).