N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C19H20N2O4S — CID 100542888

IUPACN-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(C)=O)c3)ccc21
InChIInChI=1S/C19H20N2O4S/c1-3-19(23)21-10-9-15-12-17(7-8-18(15)21)26(24,25)20-16-6-4-5-14(11-16)13(2)22/h4-8,11-12,20H,3,9-10H2,1-2H3
InChIKeyHWKPBMWQZBVPPS-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.99
Rot. Bonds5

About N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 100542888) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID100542888
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(C)=O)c3)ccc21
InChIInChI=1S/C19H20N2O4S/c1-3-19(23)21-10-9-15-12-17(7-8-18(15)21)26(24,25)20-16-6-4-5-14(11-16)13(2)22/h4-8,11-12,20H,3,9-10H2,1-2H3
InChIKeyHWKPBMWQZBVPPS-UHFFFAOYSA-N
XLogP2.99
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-acetylphenyl)-1-propanoyl-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

3-[[1-(3-carboxypropanoyl)-2,3-dihydroindol-5-yl]sulfonylamino]benzoic acid
CID 20864325
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
5-[(4-acetylphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53058961
N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15995314
4-fluoro-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604913
ethyl 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonylamino]benzoate
CID 46504892
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 18343254
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621715
1-benzoyl-N-(3-bromophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247816
4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 100542888) is N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(C)=O)c3)ccc21.
What is the InChIKey of N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HWKPBMWQZBVPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-19(23)21-10-9-15-12-17(7-8-18(15)21)26(24,25)20-16-6-4-5-14(11-16)13(2)22/h4-8,11-12,20H,3,9-10H2,1-2H3.
What are the key properties of N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 100542888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).