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

C20H20N2O3S — CID 1372880

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCc1ccccc1N(CC(=O)Nc1cccc2ccccc12)S(C)(=O)=O
InChIInChI=1S/C20H20N2O3S/c1-15-8-3-6-13-19(15)22(26(2,24)25)14-20(23)21-18-12-7-10-16-9-4-5-11-17(16)18/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyGLVIELXCXPRJMZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.55
Rot. Bonds5

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

2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide (PubChem CID 1372880) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
PubChem CID1372880
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCc1ccccc1N(CC(=O)Nc1cccc2ccccc12)S(C)(=O)=O
InChIInChI=1S/C20H20N2O3S/c1-15-8-3-6-13-19(15)22(26(2,24)25)14-20(23)21-18-12-7-10-16-9-4-5-11-17(16)18/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyGLVIELXCXPRJMZ-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1105251
N-naphthalen-1-yl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30259474
N-(2-fluorophenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 17312968
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55726000
N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 3554676
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 1317383
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55389024
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide (CID 1372880) is 2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide is Cc1ccccc1N(CC(=O)Nc1cccc2ccccc12)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The InChIKey is GLVIELXCXPRJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-15-8-3-6-13-19(15)22(26(2,24)25)14-20(23)21-18-12-7-10-16-9-4-5-11-17(16)18/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide has a molecular weight of 368.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 1372880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).