N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide

C18H19N3O3S — CID 75415661

IUPACN-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-13-17(15-10-6-7-11-16(15)19-13)18(22)20-25(23,24)21(2)12-14-8-4-3-5-9-14/h3-11,19H,12H2,1-2H3,(H,20,22)
InChIKeyZQGGHMRLARHNGX-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.58
Rot. Bonds5

About N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide

N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 75415661) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide
PubChem CID75415661
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-13-17(15-10-6-7-11-16(15)19-13)18(22)20-25(23,24)21(2)12-14-8-4-3-5-9-14/h3-11,19H,12H2,1-2H3,(H,20,22)
InChIKeyZQGGHMRLARHNGX-UHFFFAOYSA-N
XLogP2.58
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
CID 32579620
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 79814346
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide
CID 111825055
2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide
CID 26739273

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide (CID 75415661) is N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)NS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide?
The InChIKey is ZQGGHMRLARHNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13-17(15-10-6-7-11-16(15)19-13)18(22)20-25(23,24)21(2)12-14-8-4-3-5-9-14/h3-11,19H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide?
N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 75415661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).