2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide

C21H22N2O3S — CID 18191893

IUPAC2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-16-11-13-18(14-12-16)27(25,26)23(2)15-21(24)22-20-10-6-8-17-7-4-5-9-19(17)20/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeySZTCSTYGADVGDE-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.66
Rot. Bonds6

About 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide

2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide (PubChem CID 18191893) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
PubChem CID18191893
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-16-11-13-18(14-12-16)27(25,26)23(2)15-21(24)22-20-10-6-8-17-7-4-5-9-19(17)20/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeySZTCSTYGADVGDE-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 1329391
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 40624086
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide
CID 55973446
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126062395
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 3249164
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1233822
N-(2,6-diethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2203258
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide (CID 18191893) is 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide is CCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
The InChIKey is SZTCSTYGADVGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-16-11-13-18(14-12-16)27(25,26)23(2)15-21(24)22-20-10-6-8-17-7-4-5-9-19(17)20/h4-14H,3,15H2,1-2H3,(H,22,24).
What are the key properties of 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide has a molecular weight of 382.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 18191893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).