1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide

C18H20N2O3S — CID 110730104

IUPAC1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCN2C(=O)Cc3ccccc32)cc1
InChIInChI=1S/C18H20N2O3S/c1-14-6-8-15(9-7-14)13-24(22,23)19-10-11-20-17-5-3-2-4-16(17)12-18(20)21/h2-9,19H,10-13H2,1H3
InChIKeyTXGIJJHWVZPTAO-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.00
Rot. Bonds6

About 1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide

1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide (PubChem CID 110730104) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
PubChem CID110730104
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCN2C(=O)Cc3ccccc32)cc1
InChIInChI=1S/C18H20N2O3S/c1-14-6-8-15(9-7-14)13-24(22,23)19-10-11-20-17-5-3-2-4-16(17)12-18(20)21/h2-9,19H,10-13H2,1H3
InChIKeyTXGIJJHWVZPTAO-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
CID 126769243
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
2-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide
CID 110730109
5-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
CID 110730099
2-(3-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730070
4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide
CID 110730096
N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
CID 110730098
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide
CID 110729989
2-(4-methoxyphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730034
1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one
CID 114993317
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide (CID 110730104) is 1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide is Cc1ccc(CS(=O)(=O)NCCN2C(=O)Cc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide?
The InChIKey is TXGIJJHWVZPTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-14-6-8-15(9-7-14)13-24(22,23)19-10-11-20-17-5-3-2-4-16(17)12-18(20)21/h2-9,19H,10-13H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide?
1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110730104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).