N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide

C17H18ClNOS — CID 60594314

IUPACN-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SC(C)C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNOS/c1-12-4-3-5-16(10-12)21-13(2)17(20)19-11-14-6-8-15(18)9-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyHGGNTZOMOCSRGB-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.45
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide

N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide (PubChem CID 60594314) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide
PubChem CID60594314
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SC(C)C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNOS/c1-12-4-3-5-16(10-12)21-13(2)17(20)19-11-14-6-8-15(18)9-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyHGGNTZOMOCSRGB-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 133162697
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 100746008
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 99864872
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide
CID 92675964
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 55669732
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide (CID 60594314) is N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide is Cc1cccc(SC(C)C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide?
The InChIKey is HGGNTZOMOCSRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-12-4-3-5-16(10-12)21-13(2)17(20)19-11-14-6-8-15(18)9-7-14/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide?
N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide has a molecular weight of 319.86 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 60594314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).