4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide

C22H23N3O3S — CID 22519164

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C
InChIInChI=1S/C22H23N3O3S/c1-3-16-8-4-6-10-19(16)23-22(26)21-14-18(15-24(21)2)29(27,28)25-13-12-17-9-5-7-11-20(17)25/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyPXINBCYKJWRBPW-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.59
Rot. Bonds5

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 22519164) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID22519164
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C
InChIInChI=1S/C22H23N3O3S/c1-3-16-8-4-6-10-19(16)23-22(26)21-14-18(15-24(21)2)29(27,28)25-13-12-17-9-5-7-11-20(17)25/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyPXINBCYKJWRBPW-UHFFFAOYSA-N
XLogP3.59
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-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

(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446276
(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446277
Oxsi-2
CID 6419747
(3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indole-5-sulfonamide
CID 23647623
N-[(3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156018364
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 4250479
3-(indolin-1-ylsulfonyl)-N-(pyridin-4-yl)benzamide
CID 24980452
N-(4-(N-mesitylsulfamoyl)phenyl)picolinamide
CID 45111050
N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913659
N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913660
4-(cyclopropylmethylamino)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzenesulfonamide
CID 89657377

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide (CID 22519164) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide is CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is PXINBCYKJWRBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-16-8-4-6-10-19(16)23-22(26)21-14-18(15-24(21)2)29(27,28)25-13-12-17-9-5-7-11-20(17)25/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,26).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-ethylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 22519164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).