1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone

C21H25N3O3S — CID 4884596

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CNc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H25N3O3S/c1-16-13-17-7-2-3-10-20(17)24(16)21(25)15-22-18-8-6-9-19(14-18)28(26,27)23-11-4-5-12-23/h2-3,6-10,14,16,22H,4-5,11-13,15H2,1H3
InChIKeyRRELGDCFVGPAGK-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone (PubChem CID 4884596) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
PubChem CID4884596
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CNc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H25N3O3S/c1-16-13-17-7-2-3-10-20(17)24(16)21(25)15-22-18-8-6-9-19(14-18)28(26,27)23-11-4-5-12-23/h2-3,6-10,14,16,22H,4-5,11-13,15H2,1H3
InChIKeyRRELGDCFVGPAGK-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone 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

1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 25390599
2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 40797160
methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
CID 109010122
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 133199873
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4009166
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4803148
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 51147421
1-morpholin-4-yl-2-(3-piperidin-1-ylsulfonylanilino)ethanone
CID 55345366
2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099236
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 23824097
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109063460

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone (CID 4884596) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone is CC1Cc2ccccc2N1C(=O)CNc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
The InChIKey is RRELGDCFVGPAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-16-13-17-7-2-3-10-20(17)24(16)21(25)15-22-18-8-6-9-19(14-18)28(26,27)23-11-4-5-12-23/h2-3,6-10,14,16,22H,4-5,11-13,15H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone has a molecular weight of 399.52 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone is sourced from PubChem (CID 4884596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).