N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide

C20H19NO3S — CID 3892636

IUPACN-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C20H19NO3S/c1-14-6-5-9-19(15(14)2)21-20(22)13-25(23,24)18-11-10-16-7-3-4-8-17(16)12-18/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyKERGKGCOEPXROM-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.87
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide

N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide (PubChem CID 3892636) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide
PubChem CID3892636
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C20H19NO3S/c1-14-6-5-9-19(15(14)2)21-20(22)13-25(23,24)18-11-10-16-7-3-4-8-17(16)12-18/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyKERGKGCOEPXROM-UHFFFAOYSA-N
XLogP3.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3404538
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 24678241
N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 4046357
N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
CID 3938895
N-(3-fluorophenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3925269
N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide
CID 1041797
N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-ylsulfonylacetamide
CID 3603018
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325
N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3890820
N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide
CID 751478
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide (CID 3892636) is N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide is Cc1cccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The InChIKey is KERGKGCOEPXROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-14-6-5-9-19(15(14)2)21-20(22)13-25(23,24)18-11-10-16-7-3-4-8-17(16)12-18/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide has a molecular weight of 353.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 3892636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).