2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide

C24H24ClN3O4S — CID 126125465

IUPAC2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H24ClN3O4S/c1-17(18-9-4-3-5-10-18)26-24(30)21-13-6-7-14-22(21)27-23(29)16-28(33(2,31)32)20-12-8-11-19(25)15-20/h3-15,17H,16H2,1-2H3,(H,26,30)(H,27,29)/t17-/m1/s1
InChIKeyQYYXUHFZCZKNJG-QGZVFWFLSA-N
MW485.99 g/mol
LogP4.24
Rot. Bonds8

About 2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide

2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 126125465) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is 2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID126125465
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC Name2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H24ClN3O4S/c1-17(18-9-4-3-5-10-18)26-24(30)21-13-6-7-14-22(21)27-23(29)16-28(33(2,31)32)20-12-8-11-19(25)15-20/h3-15,17H,16H2,1-2H3,(H,26,30)(H,27,29)/t17-/m1/s1
InChIKeyQYYXUHFZCZKNJG-QGZVFWFLSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126128608
2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126126843
2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126118406
2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 17201173
2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126132732
2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126132729
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2430647
2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126415485
3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113143785
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43895448
2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
CID 32755968
2-[[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43899882

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide (CID 126125465) is 2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is QYYXUHFZCZKNJG-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-17(18-9-4-3-5-10-18)26-24(30)21-13-6-7-14-22(21)27-23(29)16-28(33(2,31)32)20-12-8-11-19(25)15-20/h3-15,17H,16H2,1-2H3,(H,26,30)(H,27,29)/t17-/m1/s1.
What are the key properties of 2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 485.99 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 126125465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).