N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide

C17H20N2O3S — CID 846890

IUPACN-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S/c1-3-14-9-7-8-12-16(14)18-17(20)13-19(23(2,21)22)15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyQXWPSIALTOJHLF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.65
Rot. Bonds6

About N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide

N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide (PubChem CID 846890) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
PubChem CID846890
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S/c1-3-14-9-7-8-12-16(14)18-17(20)13-19(23(2,21)22)15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyQXWPSIALTOJHLF-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamido-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 113155828
N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153665
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
CID 30258733
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 53280656
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 51333753
2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide
CID 126123586
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide (CID 846890) is N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide is CCc1ccccc1NC(=O)CN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is QXWPSIALTOJHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-14-9-7-8-12-16(14)18-17(20)13-19(23(2,21)22)15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3,(H,18,20).
What are the key properties of N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 846890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).