N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide

C19H18N2O3S — CID 42026353

IUPACN-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CNc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O3S/c1-25(23,24)16-11-9-15(10-12-16)21-19(22)13-20-18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3,(H,21,22)
InChIKeyPMTBPZKYGSWLSF-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.29
Rot. Bonds5

About N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide

N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide (PubChem CID 42026353) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
PubChem CID42026353
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CNc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O3S/c1-25(23,24)16-11-9-15(10-12-16)21-19(22)13-20-18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3,(H,21,22)
InChIKeyPMTBPZKYGSWLSF-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42027103
2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9082352
2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 37229648
4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 46633439
2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide
CID 60609393
N-[4-(2-methylpropoxy)phenyl]-2-(naphthalen-1-ylamino)acetamide
CID 54809414
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326
N-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418
N-(4-hexoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809387
2-anilino-N-naphthalen-1-ylacetamide
CID 767556

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide (CID 42026353) is N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide is CS(=O)(=O)c1ccc(NC(=O)CNc2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is PMTBPZKYGSWLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-25(23,24)16-11-9-15(10-12-16)21-19(22)13-20-18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3,(H,21,22).
What are the key properties of N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide?
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 42026353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).