4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide

C23H22ClNOS — CID 7958609

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H22ClNOS/c1-17-3-5-18(6-4-17)15-25(2)23(26)20-9-7-19(8-10-20)16-27-22-13-11-21(24)12-14-22/h3-14H,15-16H2,1-2H3
InChIKeyIZRVPKKUCHVGFQ-UHFFFAOYSA-N
MW395.96 g/mol
LogP6.21
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide

4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 7958609) has the molecular formula C23H22ClNOS and a molecular weight of 395.96 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID7958609
Molecular FormulaC23H22ClNOS
Molecular Weight395.96 g/mol
Exact Mass395.11
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H22ClNOS/c1-17-3-5-18(6-4-17)15-25(2)23(26)20-9-7-19(8-10-20)16-27-22-13-11-21(24)12-14-22/h3-14H,15-16H2,1-2H3
InChIKeyIZRVPKKUCHVGFQ-UHFFFAOYSA-N
XLogP6.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.96
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 8991195
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 2119073
N-[(4-chlorophenyl)methyl]-N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 38000614
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
4-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 34181015
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 46763987
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
CID 31151066
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide (CID 7958609) is 4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is IZRVPKKUCHVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNOS/c1-17-3-5-18(6-4-17)15-25(2)23(26)20-9-7-19(8-10-20)16-27-22-13-11-21(24)12-14-22/h3-14H,15-16H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 395.96 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 7958609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).