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

C24H25ClN2O3S — CID 46772102

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cccc(N(Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H25ClN2O3S/c1-18-5-4-6-23(15-18)27(31(3,29)30)17-20-7-11-21(12-8-20)24(28)26(2)16-19-9-13-22(25)14-10-19/h4-15H,16-17H2,1-3H3
InChIKeyJUOMZHKSGDMESQ-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.89
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 46772102) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
PubChem CID46772102
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cccc(N(Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H25ClN2O3S/c1-18-5-4-6-23(15-18)27(31(3,29)30)17-20-7-11-21(12-8-20)24(28)26(2)16-19-9-13-22(25)14-10-19/h4-15H,16-17H2,1-3H3
InChIKeyJUOMZHKSGDMESQ-UHFFFAOYSA-N
XLogP4.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 30392525
N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide
CID 967645
4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 41493280
N-[(4-chlorophenyl)methyl]-N-methyl-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 46763476
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
2-[(4-chlorophenyl)methyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-ethylbutanamide
CID 132944772
N-[(4-chlorophenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285185
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113151118
ethyl 3-chloro-4-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 28637033
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23912821

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide (CID 46772102) is N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide is Cc1cccc(N(Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is JUOMZHKSGDMESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-18-5-4-6-23(15-18)27(31(3,29)30)17-20-7-11-21(12-8-20)24(28)26(2)16-19-9-13-22(25)14-10-19/h4-15H,16-17H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide?
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 457.00 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 46772102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).