N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide

C17H18ClNOS — CID 134008118

IUPACN-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C17H18ClNOS/c1-11-4-8-15(9-5-11)21-13(3)17(20)19-16-10-14(18)7-6-12(16)2/h4-10,13H,1-3H3,(H,19,20)
InChIKeyDGOYYMRYEMKWAQ-UHFFFAOYSA-N
MW319.86 g/mol
LogP5.08
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide

N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 134008118) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID134008118
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C17H18ClNOS/c1-11-4-8-15(9-5-11)21-13(3)17(20)19-16-10-14(18)7-6-12(16)2/h4-10,13H,1-3H3,(H,19,20)
InChIKeyDGOYYMRYEMKWAQ-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.86
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2977201
N-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 22780974
4-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 22786253
N-(5-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide
CID 46788775
N-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 19631397
2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 2957470
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
N-[(Z)-3-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22189986
(2S)-N-(5-chloro-2-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9462286
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 32676805

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 134008118) is N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is DGOYYMRYEMKWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-11-4-8-15(9-5-11)21-13(3)17(20)19-16-10-14(18)7-6-12(16)2/h4-10,13H,1-3H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 319.86 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 134008118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).