N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide

C24H29N3O3S — CID 19164497

IUPACN-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)c1ccc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1
InChIInChI=1S/C24H29N3O3S/c1-26(2)21-10-7-18(8-11-21)9-14-24(28)27-16-15-19-17-22(12-13-23(19)27)31(29,30)25-20-5-3-4-6-20/h7-14,17,20,25H,3-6,15-16H2,1-2H3/b14-9+
InChIKeyKVHDSCIZTDOLNT-NTEUORMPSA-N
MW439.58 g/mol
LogP3.58
Rot. Bonds6

About N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide

N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 19164497) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID19164497
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)c1ccc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1
InChIInChI=1S/C24H29N3O3S/c1-26(2)21-10-7-18(8-11-21)9-14-24(28)27-16-15-19-17-22(12-13-23(19)27)31(29,30)25-20-5-3-4-6-20/h7-14,17,20,25H,3-6,15-16H2,1-2H3/b14-9+
InChIKeyKVHDSCIZTDOLNT-NTEUORMPSA-N
XLogP3.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 19164498
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
CID 37349622
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864290
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769517
N-cyclopentyl-1-(2-propylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164449
N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53057540
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117
N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164410

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide (CID 19164497) is N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide is CN(C)c1ccc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1.
What is the InChIKey of N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KVHDSCIZTDOLNT-NTEUORMPSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-26(2)21-10-7-18(8-11-21)9-14-24(28)27-16-15-19-17-22(12-13-23(19)27)31(29,30)25-20-5-3-4-6-20/h7-14,17,20,25H,3-6,15-16H2,1-2H3/b14-9+.
What are the key properties of N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide?
N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 439.58 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 19164497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).