N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide

C24H31N3O3S — CID 70844134

IUPACN-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide
SMILESCOc1ccc2c(N)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)n(CC3CCCC3)c2c1
InChIInChI=1S/C24H31N3O3S/c1-16(2)31(28,29)26-19-10-8-18(9-11-19)24-23(25)21-13-12-20(30-3)14-22(21)27(24)15-17-6-4-5-7-17/h8-14,16-17,26H,4-7,15,25H2,1-3H3
InChIKeyNJVAXVPPTWCXJB-UHFFFAOYSA-N
MW441.60 g/mol
LogP5.24
Rot. Bonds7

About N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide

N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide (PubChem CID 70844134) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide
PubChem CID70844134
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide
SMILESCOc1ccc2c(N)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)n(CC3CCCC3)c2c1
InChIInChI=1S/C24H31N3O3S/c1-16(2)31(28,29)26-19-10-8-18(9-11-19)24-23(25)21-13-12-20(30-3)14-22(21)27(24)15-17-6-4-5-7-17/h8-14,16-17,26H,4-7,15,25H2,1-3H3
InChIKeyNJVAXVPPTWCXJB-UHFFFAOYSA-N
XLogP5.24
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide with MolForge

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Related Compounds

N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
CID 59430592
N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844494
N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844699
N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 58694504
N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 70826013
1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea
CID 70825538
4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]-N-cyclopropylbenzenesulfonamide
CID 58694365
1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 70844204
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
CID 70825780
N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
CID 70844173
[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate
CID 70825602
N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide
CID 66730852

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide (CID 70844134) is N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide is COc1ccc2c(N)c(-c3ccc(NS(=O)(=O)C(C)C)cc3)n(CC3CCCC3)c2c1.
What is the InChIKey of N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide?
The InChIKey is NJVAXVPPTWCXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-16(2)31(28,29)26-19-10-8-18(9-11-19)24-23(25)21-13-12-20(30-3)14-22(21)27(24)15-17-6-4-5-7-17/h8-14,16-17,26H,4-7,15,25H2,1-3H3.
What are the key properties of N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide?
N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide has a molecular weight of 441.60 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 70844134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).