2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide

C19H18N2O3S — CID 37229648

IUPAC2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCS(=O)(=O)c1cccc(NCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C19H18N2O3S/c1-25(23,24)16-9-5-8-15(12-16)20-13-19(22)21-18-11-4-7-14-6-2-3-10-17(14)18/h2-12,20H,13H2,1H3,(H,21,22)
InChIKeyIZNVRCAXQULPFY-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.29
Rot. Bonds5

About 2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide

2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide (PubChem CID 37229648) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
PubChem CID37229648
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCS(=O)(=O)c1cccc(NCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C19H18N2O3S/c1-25(23,24)16-9-5-8-15(12-16)20-13-19(22)21-18-11-4-7-14-6-2-3-10-17(14)18/h2-12,20H,13H2,1H3,(H,21,22)
InChIKeyIZNVRCAXQULPFY-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-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
CID 9084353
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
N-(5-fluoro-2-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 18125562
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 37229754
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
2-[3-(2-ethoxyethoxy)anilino]-N-naphthalen-1-ylacetamide
CID 54827574
2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
CID 46600516
N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838962
3-methylsulfonyl-N-naphthalen-1-ylpropanamide
CID 127504646
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide (CID 37229648) is 2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide is CS(=O)(=O)c1cccc(NCC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The InChIKey is IZNVRCAXQULPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-25(23,24)16-9-5-8-15(12-16)20-13-19(22)21-18-11-4-7-14-6-2-3-10-17(14)18/h2-12,20H,13H2,1H3,(H,21,22).
What are the key properties of 2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide 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 2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 37229648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).