5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide

C21H22N4O4S — CID 21224933

IUPAC5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)NC(=O)N1CCc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc21
InChIInChI=1S/C21H22N4O4S/c1-14(2)22-20(26)24-11-10-16-12-17(8-9-19(16)24)30(28,29)25-13-18(23-21(25)27)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyJBNFRTAQRVWXQA-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.56
Rot. Bonds4

About 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide

5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 21224933) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
PubChem CID21224933
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)NC(=O)N1CCc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc21
InChIInChI=1S/C21H22N4O4S/c1-14(2)22-20(26)24-11-10-16-12-17(8-9-19(16)24)30(28,29)25-13-18(23-21(25)27)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyJBNFRTAQRVWXQA-UHFFFAOYSA-N
XLogP2.56
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide 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-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride
CID 21224889
ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate
CID 11732410
3-[[2-methyl-1-(2,2,2-trifluoroacetyl)-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one
CID 142627111
3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one
CID 21224945
N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 140997043
1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 75110472
1-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 3238875
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 93065305
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 53058948
5-[(2,6-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058911
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide (CID 21224933) is 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide is CC(C)NC(=O)N1CCc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc21.
What is the InChIKey of 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is JBNFRTAQRVWXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-14(2)22-20(26)24-11-10-16-12-17(8-9-19(16)24)30(28,29)25-13-18(23-21(25)27)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 21224933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).