N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide

C20H23N3O3S — CID 110316012

IUPACN-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCc3cc(N4CCCC4)ccc32)cc1
InChIInChI=1S/C20H23N3O3S/c1-15-4-7-18(8-5-15)27(25,26)21-20(24)23-13-10-16-14-17(6-9-19(16)23)22-11-2-3-12-22/h4-9,14H,2-3,10-13H2,1H3,(H,21,24)
InChIKeyPPFKNPDRICLQEX-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.06
Rot. Bonds3

About N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide

N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 110316012) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide
PubChem CID110316012
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCc3cc(N4CCCC4)ccc32)cc1
InChIInChI=1S/C20H23N3O3S/c1-15-4-7-18(8-5-15)27(25,26)21-20(24)23-13-10-16-14-17(6-9-19(16)23)22-11-2-3-12-22/h4-9,14H,2-3,10-13H2,1H3,(H,21,24)
InChIKeyPPFKNPDRICLQEX-UHFFFAOYSA-N
XLogP3.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
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

[1-[(4-methylphenyl)sulfonylcarbamoyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate
CID 2308137
6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide
CID 110635108
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
5-[(4-methylphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059050
1-acetyl-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100516505
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 53059177
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53059187
(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide (CID 110316012) is N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCc3cc(N4CCCC4)ccc32)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is PPFKNPDRICLQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-15-4-7-18(8-5-15)27(25,26)21-20(24)23-13-10-16-14-17(6-9-19(16)23)22-11-2-3-12-22/h4-9,14H,2-3,10-13H2,1H3,(H,21,24).
What are the key properties of N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide?
N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 110316012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).