2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide

C26H29N5O3S — CID 142032467

IUPAC2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(NC(=O)N2c3cc(S(=O)(=O)N4CCN(c5ccccn5)CC4)ccc3CC2C)cc1
InChIInChI=1S/C26H29N5O3S/c1-19-6-9-22(10-7-19)28-26(32)31-20(2)17-21-8-11-23(18-24(21)31)35(33,34)30-15-13-29(14-16-30)25-5-3-4-12-27-25/h3-12,18,20H,13-17H2,1-2H3,(H,28,32)
InChIKeyCLPPWPJTQCRFDD-UHFFFAOYSA-N
MW491.62 g/mol
LogP3.88
Rot. Bonds4

About 2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide

2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide (PubChem CID 142032467) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
PubChem CID142032467
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC Name2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(NC(=O)N2c3cc(S(=O)(=O)N4CCN(c5ccccn5)CC4)ccc3CC2C)cc1
InChIInChI=1S/C26H29N5O3S/c1-19-6-9-22(10-7-19)28-26(32)31-20(2)17-21-8-11-23(18-24(21)31)35(33,34)30-15-13-29(14-16-30)25-5-3-4-12-27-25/h3-12,18,20H,13-17H2,1-2H3,(H,28,32)
InChIKeyCLPPWPJTQCRFDD-UHFFFAOYSA-N
XLogP3.88
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-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

2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
1-[6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 3241021
1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3238399
N-[4-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 90507631
N-[4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108781295
6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 142032448
1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 113098307
2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4857710
3-[(4-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46291882
ethyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate
CID 3890303
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propane-1,3-dione
CID 108965609
N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4118105

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide (CID 142032467) is 2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide is Cc1ccc(NC(=O)N2c3cc(S(=O)(=O)N4CCN(c5ccccn5)CC4)ccc3CC2C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is CLPPWPJTQCRFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-19-6-9-22(10-7-19)28-26(32)31-20(2)17-21-8-11-23(18-24(21)31)35(33,34)30-15-13-29(14-16-30)25-5-3-4-12-27-25/h3-12,18,20H,13-17H2,1-2H3,(H,28,32).
What are the key properties of 2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 142032467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).