N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide

C24H25ClN2O3S — CID 1107896

IUPACN-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1ccc(N(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C24H25ClN2O3S/c1-17-4-13-23(14-18(17)2)27(31(3,29)30)16-20-5-9-21(10-6-20)24(28)26-15-19-7-11-22(25)12-8-19/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyBKTQZIYSXHPFCN-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.85
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide

N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 1107896) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
PubChem CID1107896
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1ccc(N(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C24H25ClN2O3S/c1-17-4-13-23(14-18(17)2)27(31(3,29)30)16-20-5-9-21(10-6-20)24(28)26-15-19-7-11-22(25)12-8-19/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyBKTQZIYSXHPFCN-UHFFFAOYSA-N
XLogP4.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide
CID 53287248
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 28588338
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 30391343
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53280554
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92676444
N-(3,4-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53280605
N-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1210619
N-(2,6-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 2206398
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135
N-[(2R)-butan-2-yl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1131217
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 2884397
4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 100500514

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide (CID 1107896) is N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide is Cc1ccc(N(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is BKTQZIYSXHPFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-17-4-13-23(14-18(17)2)27(31(3,29)30)16-20-5-9-21(10-6-20)24(28)26-15-19-7-11-22(25)12-8-19/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 457.00 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 1107896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).