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

C19H20N2O3S — CID 55555964

IUPAC6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C19H20N2O3S/c1-12-4-5-15-11-18(21-17(15)10-12)19(22)20-13(2)14-6-8-16(9-7-14)25(3,23)24/h4-11,13,21H,1-3H3,(H,20,22)
InChIKeyIVSYCXGNZRJTNY-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.37
Rot. Bonds4

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

6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 55555964) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID55555964
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C19H20N2O3S/c1-12-4-5-15-11-18(21-17(15)10-12)19(22)20-13(2)14-6-8-16(9-7-14)25(3,23)24/h4-11,13,21H,1-3H3,(H,20,22)
InChIKeyIVSYCXGNZRJTNY-UHFFFAOYSA-N
XLogP3.37
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
CID 134063137
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide
CID 95297875
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002788
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 125081962
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide
CID 55963560
2-amino-2-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 120666863

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide (CID 55555964) is 6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is IVSYCXGNZRJTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-12-4-5-15-11-18(21-17(15)10-12)19(22)20-13(2)14-6-8-16(9-7-14)25(3,23)24/h4-11,13,21H,1-3H3,(H,20,22).
What are the key properties of 6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55555964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).