(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide

C17H19NOS2 — CID 9180009

IUPAC(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NOS2/c1-12-4-8-16(9-5-12)21-13(2)17(19)18-14-6-10-15(20-3)11-7-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyGSKSDSFRHBTSIN-ZDUSSCGKSA-N
MW317.48 g/mol
LogP4.84
Rot. Bonds5

About (2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide

(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 9180009) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is (2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
PubChem CID9180009
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC Name(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NOS2/c1-12-4-8-16(9-5-12)21-13(2)17(19)18-14-6-10-15(20-3)11-7-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyGSKSDSFRHBTSIN-ZDUSSCGKSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2943102
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 6927703
(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 951511
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 1255894
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 7375379
4-[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 22780080
(2S)-2-(4-methylphenyl)sulfanyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 9429388
(2S)-N-[4-(cyanomethyl)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951509
N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 43093514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide (CID 9180009) is (2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1.
What is the InChIKey of (2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is GSKSDSFRHBTSIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NOS2/c1-12-4-8-16(9-5-12)21-13(2)17(19)18-14-6-10-15(20-3)11-7-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide?
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 317.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 9180009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).