3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide

C17H18ClNOS — CID 883208

IUPAC3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNOS/c1-13-2-4-14(5-3-13)12-19-17(20)10-11-21-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyXIMJJCIWMGISRL-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.45
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 883208) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
PubChem CID883208
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNOS/c1-13-2-4-14(5-3-13)12-19-17(20)10-11-21-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyXIMJJCIWMGISRL-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26796353
3-[(4-chlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 4064424
3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 30380045
3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385943
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
3-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483295
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2583503
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 86950662
N-[(4-methylphenyl)methyl]butanamide
CID 835678
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 38958373
3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224495
3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide
CID 114618833

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide (CID 883208) is 3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is XIMJJCIWMGISRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-13-2-4-14(5-3-13)12-19-17(20)10-11-21-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 319.86 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 883208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).