N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide

C24H24ClN3O4S — CID 1302162

IUPACN-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C24H24ClN3O4S/c1-17-12-13-19(14-21(17)25)28(33(2,31)32)16-23(29)27-22-11-7-6-10-20(22)24(30)26-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyCNZHCTFXNVGLLY-UHFFFAOYSA-N
MW485.99 g/mol
LogP3.98
Rot. Bonds8

About N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide

N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide (PubChem CID 1302162) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
PubChem CID1302162
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC NameN-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C24H24ClN3O4S/c1-17-12-13-19(14-21(17)25)28(33(2,31)32)16-23(29)27-22-11-7-6-10-20(22)24(30)26-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyCNZHCTFXNVGLLY-UHFFFAOYSA-N
XLogP3.98
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1307009
2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 1322673
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783
N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 30267975
N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 23823171
N-benzyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1311681
2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]amino]-N-benzylbenzamide
CID 4619682
2-[[2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]-N-benzylbenzamide
CID 126035791
2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126415485
2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126126843
N-benzyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]amino]benzamide
CID 21367269
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide (CID 1302162) is N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide is Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
The InChIKey is CNZHCTFXNVGLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-17-12-13-19(14-21(17)25)28(33(2,31)32)16-23(29)27-22-11-7-6-10-20(22)24(30)26-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide has a molecular weight of 485.99 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 1302162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).