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

C28H24ClNOS — CID 46763987

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H24ClNOS/c1-20-7-11-23(12-8-20)27(22-5-3-2-4-6-22)30-28(31)24-13-9-21(10-14-24)19-32-26-17-15-25(29)16-18-26/h2-18,27H,19H2,1H3,(H,30,31)
InChIKeyYEKRFQFLCPAYPF-UHFFFAOYSA-N
MW458.03 g/mol
LogP7.46
Rot. Bonds7

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

4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 46763987) has the molecular formula C28H24ClNOS and a molecular weight of 458.03 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID46763987
Molecular FormulaC28H24ClNOS
Molecular Weight458.03 g/mol
Exact Mass457.13
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H24ClNOS/c1-20-7-11-23(12-8-20)27(22-5-3-2-4-6-22)30-28(31)24-13-9-21(10-14-24)19-32-26-17-15-25(29)16-18-26/h2-18,27H,19H2,1H3,(H,30,31)
InChIKeyYEKRFQFLCPAYPF-UHFFFAOYSA-N
XLogP7.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.03
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94016022
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 5127187
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 3950868
4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55757536
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 139753747
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide (CID 46763987) is 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc(C(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is YEKRFQFLCPAYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClNOS/c1-20-7-11-23(12-8-20)27(22-5-3-2-4-6-22)30-28(31)24-13-9-21(10-14-24)19-32-26-17-15-25(29)16-18-26/h2-18,27H,19H2,1H3,(H,30,31).
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide?
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 458.03 g/mol, XLogP of 7.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 46763987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).