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

C16H16ClNO2S — CID 2977201

IUPACN-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H16ClNO2S/c1-10-3-6-13(7-4-10)21-11(2)16(20)18-14-9-12(17)5-8-15(14)19/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeyZZQKQLJYIHWWRB-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.47
Rot. Bonds4

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

N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2977201) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID2977201
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H16ClNO2S/c1-10-3-6-13(7-4-10)21-11(2)16(20)18-14-9-12(17)5-8-15(14)19/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeyZZQKQLJYIHWWRB-UHFFFAOYSA-N
XLogP4.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 134008118
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 18207485
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 32676805
4-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 22786253
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 23914557
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 2198317

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 2977201) is N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is ZZQKQLJYIHWWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-10-3-6-13(7-4-10)21-11(2)16(20)18-14-9-12(17)5-8-15(14)19/h3-9,11,19H,1-2H3,(H,18,20).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 321.83 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2977201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).