N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide

C15H22N2O3S — CID 53092468

IUPACN-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C15H22N2O3S/c1-3-9-21(19,20)16-11-12-5-6-14-13(10-12)7-8-17(14)15(18)4-2/h5-6,10,16H,3-4,7-9,11H2,1-2H3
InChIKeyOQWBDRJWWUYZLD-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.82
Rot. Bonds6

About N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide

N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide (PubChem CID 53092468) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
PubChem CID53092468
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C15H22N2O3S/c1-3-9-21(19,20)16-11-12-5-6-14-13(10-12)7-8-17(14)15(18)4-2/h5-6,10,16H,3-4,7-9,11H2,1-2H3
InChIKeyOQWBDRJWWUYZLD-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-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

N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide
CID 53092613
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092470
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 95074914
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
CID 53102502
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008
ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
CID 53090031
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100502862

Frequently Asked Questions

What is the IUPAC name of N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide (CID 53092468) is N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc2c(c1)CCN2C(=O)CC.
What is the InChIKey of N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide?
The InChIKey is OQWBDRJWWUYZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-9-21(19,20)16-11-12-5-6-14-13(10-12)7-8-17(14)15(18)4-2/h5-6,10,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide?
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 53092468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).