2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide

C26H23ClN2O3S — CID 30172406

IUPAC2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C26H23ClN2O3S/c1-18-10-13-22(14-11-18)33(31,32)29(25-15-12-21(27)16-19(25)2)17-26(30)28-24-9-5-7-20-6-3-4-8-23(20)24/h3-16H,17H2,1-2H3,(H,28,30)
InChIKeyUEJICPGOGMRDBS-UHFFFAOYSA-N
MW479.00 g/mol
LogP5.94
Rot. Bonds6

About 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide

2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide (PubChem CID 30172406) has the molecular formula C26H23ClN2O3S and a molecular weight of 479.00 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
PubChem CID30172406
Molecular FormulaC26H23ClN2O3S
Molecular Weight479.00 g/mol
Exact Mass478.11
IUPAC Name2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C26H23ClN2O3S/c1-18-10-13-22(14-11-18)33(31,32)29(25-15-12-21(27)16-19(25)2)17-26(30)28-24-9-5-7-20-6-3-4-8-23(20)24/h3-16H,17H2,1-2H3,(H,28,30)
InChIKeyUEJICPGOGMRDBS-UHFFFAOYSA-N
XLogP5.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.00
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 126387507
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 30172363
N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337881
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
N-(5-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1248067
N-(5-chloro-2-methylphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337126
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 51345410
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 3966474
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide
CID 1314332
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 1329391
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2278594

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide (CID 30172406) is 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2ccc(Cl)cc2C)cc1.
What is the InChIKey of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide?
The InChIKey is UEJICPGOGMRDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3S/c1-18-10-13-22(14-11-18)33(31,32)29(25-15-12-21(27)16-19(25)2)17-26(30)28-24-9-5-7-20-6-3-4-8-23(20)24/h3-16H,17H2,1-2H3,(H,28,30).
What are the key properties of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide?
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide has a molecular weight of 479.00 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 30172406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).