4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

C19H22ClN3O4S — CID 30263641

IUPAC4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22ClN3O4S/c1-22(2)19(25)15-6-10-17(11-7-15)23(28(3,26)27)13-18(24)21-12-14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyNDSDJGJSQGCECI-UHFFFAOYSA-N
MW423.92 g/mol
LogP2.12
Rot. Bonds7

About 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (PubChem CID 30263641) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
PubChem CID30263641
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC Name4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22ClN3O4S/c1-22(2)19(25)15-6-10-17(11-7-15)23(28(3,26)27)13-18(24)21-12-14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyNDSDJGJSQGCECI-UHFFFAOYSA-N
XLogP2.12
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[3-[(4-chlorophenyl)methylsulfanyl]propylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30301308
2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113155611
4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30263964
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759
4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30257759
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459
N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242378
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1318473
4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259369
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156230
4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30276600

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (CID 30263641) is 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is NDSDJGJSQGCECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-22(2)19(25)15-6-10-17(11-7-15)23(28(3,26)27)13-18(24)21-12-14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3,(H,21,24).
What are the key properties of 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 423.92 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 30263641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).