(2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide

C17H19NO2S — CID 95048255

IUPAC(2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](C)Sc2ccc(O)cc2)c1
InChIInChI=1S/C17H19NO2S/c1-11-8-12(2)10-14(9-11)18-17(20)13(3)21-16-6-4-15(19)5-7-16/h4-10,13,19H,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyZBDVRXFJERRVOW-ZDUSSCGKSA-N
MW301.41 g/mol
LogP4.13
Rot. Bonds4

About (2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide

(2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide (PubChem CID 95048255) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
PubChem CID95048255
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](C)Sc2ccc(O)cc2)c1
InChIInChI=1S/C17H19NO2S/c1-11-8-12(2)10-14(9-11)18-17(20)13(3)21-16-6-4-15(19)5-7-16/h4-10,13,19H,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyZBDVRXFJERRVOW-ZDUSSCGKSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 18894186
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2943102
N-[4-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 22782384
(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 6927703
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
(2R)-N-(2,5-difluorophenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 94157785
(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 951511

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide (CID 95048255) is (2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide is Cc1cc(C)cc(NC(=O)[C@H](C)Sc2ccc(O)cc2)c1.
What is the InChIKey of (2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide?
The InChIKey is ZBDVRXFJERRVOW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-11-8-12(2)10-14(9-11)18-17(20)13(3)21-16-6-4-15(19)5-7-16/h4-10,13,19H,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide?
(2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide has a molecular weight of 301.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 95048255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).