4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide

C25H26ClNO2S — CID 133235547

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H26ClNO2S/c1-4-23(20-9-14-24(29-3)17(2)15-20)27-25(28)19-7-5-18(6-8-19)16-30-22-12-10-21(26)11-13-22/h5-15,23H,4,16H2,1-3H3,(H,27,28)
InChIKeyZSXMPBSLCGKUSE-UHFFFAOYSA-N
MW440.01 g/mol
LogP6.83
Rot. Bonds8

About 4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide

4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide (PubChem CID 133235547) has the molecular formula C25H26ClNO2S and a molecular weight of 440.01 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
PubChem CID133235547
Molecular FormulaC25H26ClNO2S
Molecular Weight440.01 g/mol
Exact Mass439.14
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H26ClNO2S/c1-4-23(20-9-14-24(29-3)17(2)15-20)27-25(28)19-7-5-18(6-8-19)16-30-22-12-10-21(26)11-13-22/h5-15,23H,4,16H2,1-3H3,(H,27,28)
InChIKeyZSXMPBSLCGKUSE-UHFFFAOYSA-N
XLogP6.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.01
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133162635
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100667074
4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100760961
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 99957185
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide
CID 133160886
5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133164754
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide (CID 133235547) is 4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide is CCC(NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The InChIKey is ZSXMPBSLCGKUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO2S/c1-4-23(20-9-14-24(29-3)17(2)15-20)27-25(28)19-7-5-18(6-8-19)16-30-22-12-10-21(26)11-13-22/h5-15,23H,4,16H2,1-3H3,(H,27,28).
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide has a molecular weight of 440.01 g/mol, XLogP of 6.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 133235547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).