2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide

C23H23ClN2O3S — CID 126126356

IUPAC2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCc1cc(C)cc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H23ClN2O3S/c1-17-12-18(2)14-20(13-17)26(30(28,29)21-9-4-3-5-10-21)16-23(27)25-15-19-8-6-7-11-22(19)24/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeySUZHRRMFOWGDOW-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.47
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 126126356) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID126126356
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCc1cc(C)cc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H23ClN2O3S/c1-17-12-18(2)14-20(13-17)26(30(28,29)21-9-4-3-5-10-21)16-23(27)25-15-19-8-6-7-11-22(19)24/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeySUZHRRMFOWGDOW-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 2873656
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
CID 126129720
N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide
CID 20858842
N-[(2-chlorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53279173
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28635589
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51343291
N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126121425
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1337995
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 1337281
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51342604
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide (CID 126126356) is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide is Cc1cc(C)cc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is SUZHRRMFOWGDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-17-12-18(2)14-20(13-17)26(30(28,29)21-9-4-3-5-10-21)16-23(27)25-15-19-8-6-7-11-22(19)24/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 442.97 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 126126356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).