6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide

C19H21N3O3S — CID 55555913

IUPAC6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2cc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C19H21N3O3S/c1-13-4-7-16(8-5-13)26(24,25)21-10-9-20-19(23)18-12-15-6-3-14(2)11-17(15)22-18/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)
InChIKeyYJLLCZGGJZBLER-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.49
Rot. Bonds6

About 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide

6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide (PubChem CID 55555913) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide
PubChem CID55555913
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2cc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C19H21N3O3S/c1-13-4-7-16(8-5-13)26(24,25)21-10-9-20-19(23)18-12-15-6-3-14(2)11-17(15)22-18/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)
InChIKeyYJLLCZGGJZBLER-UHFFFAOYSA-N
XLogP2.49
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide
CID 55555806
N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 55559390
2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 33340835
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 33429076
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide
CID 111484272
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
CID 55555964
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
2-chloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-5-nitrobenzamide
CID 33340755

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide (CID 55555913) is 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide is Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc3ccc(C)cc3[nH]2)cc1.
What is the InChIKey of 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide?
The InChIKey is YJLLCZGGJZBLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-4-7-16(8-5-13)26(24,25)21-10-9-20-19(23)18-12-15-6-3-14(2)11-17(15)22-18/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23).
What are the key properties of 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide?
6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55555913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).