4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide

C24H27N3O3S — CID 71959996

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C
InChIInChI=1S/C24H27N3O3S/c1-16(2)20-10-7-8-17(3)23(20)25-24(28)22-14-19(15-26(22)4)31(29,30)27-13-12-18-9-5-6-11-21(18)27/h5-11,14-16H,12-13H2,1-4H3,(H,25,28)
InChIKeyZKQBZLWOJGITSF-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.46
Rot. Bonds5

About 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide

4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide (PubChem CID 71959996) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide
PubChem CID71959996
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C
InChIInChI=1S/C24H27N3O3S/c1-16(2)20-10-7-8-17(3)23(20)25-24(28)22-14-19(15-26(22)4)31(29,30)27-13-12-18-9-5-6-11-21(18)27/h5-11,14-16H,12-13H2,1-4H3,(H,25,28)
InChIKeyZKQBZLWOJGITSF-UHFFFAOYSA-N
XLogP4.46
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-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

4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 22519208
N-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 154836055
3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
CID 39132073
[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22519198
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 3953512
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147
N-(2-methyl-6-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2701412
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide (CID 71959996) is 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide?
The InChIKey is ZKQBZLWOJGITSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16(2)20-10-7-8-17(3)23(20)25-24(28)22-14-19(15-26(22)4)31(29,30)27-13-12-18-9-5-6-11-21(18)27/h5-11,14-16H,12-13H2,1-4H3,(H,25,28).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.46, 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)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 71959996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).