N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

C21H22N2O3S — CID 2202463

IUPACN-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-16-8-11-19(12-9-16)22-21(24)15-23(2)27(25,26)20-13-10-17-6-4-5-7-18(17)14-20/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyZECHHNKTYMCAPK-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.66
Rot. Bonds6

About N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 2202463) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
PubChem CID2202463
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-16-8-11-19(12-9-16)22-21(24)15-23(2)27(25,26)20-13-10-17-6-4-5-7-18(17)14-20/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyZECHHNKTYMCAPK-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-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 24684358
N-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
N-(2,6-diethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2203258
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 27711716
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 2202584
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 18191893
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 45375148
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 166205942
N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 8008595

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 2202463) is N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The InChIKey is ZECHHNKTYMCAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-16-8-11-19(12-9-16)22-21(24)15-23(2)27(25,26)20-13-10-17-6-4-5-7-18(17)14-20/h4-14H,3,15H2,1-2H3,(H,22,24).
What are the key properties of N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide 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 N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 2202463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).