2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide

C21H26N4O3S — CID 11774332

IUPAC2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H26N4O3S/c1-15-13-16-14-19(29(27,28)22-2)9-10-20(16)25(15)21(26)23-17-5-7-18(8-6-17)24-11-3-4-12-24/h5-10,14-15,22H,3-4,11-13H2,1-2H3,(H,23,26)
InChIKeyOYZXWIRWCSLBFB-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide

2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 11774332) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID11774332
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H26N4O3S/c1-15-13-16-14-19(29(27,28)22-2)9-10-20(16)25(15)21(26)23-17-5-7-18(8-6-17)24-11-3-4-12-24/h5-10,14-15,22H,3-4,11-13H2,1-2H3,(H,23,26)
InChIKeyOYZXWIRWCSLBFB-UHFFFAOYSA-N
XLogP3.18
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 142032448
(2S)-N-[4-(azepan-1-yl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9279034
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
1-(cyclopropanecarbonyl)-2-methyl-N-morpholin-4-yl-2,3-dihydroindole-5-sulfonamide
CID 6624196
cyclobutyl-[(2R)-2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 92742635
(2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 92687840
1-(cyclopropanecarbonyl)-2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20901711
3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 46521495
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methylphenyl)propanamide
CID 92688036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide (CID 11774332) is 2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide is CNS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is OYZXWIRWCSLBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-15-13-16-14-19(29(27,28)22-2)9-10-20(16)25(15)21(26)23-17-5-7-18(8-6-17)24-11-3-4-12-24/h5-10,14-15,22H,3-4,11-13H2,1-2H3,(H,23,26).
What are the key properties of 2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide?
2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 11774332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).