(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide

C16H15Cl2NOS — CID 7870527

IUPAC(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-10-4-3-5-13(8-10)19-16(20)11(2)21-15-9-12(17)6-7-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyOYMBBZIQBVEPDV-NSHDSACASA-N
MW340.28 g/mol
LogP5.42
Rot. Bonds4

About (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide

(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide (PubChem CID 7870527) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
PubChem CID7870527
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-10-4-3-5-13(8-10)19-16(20)11(2)21-15-9-12(17)6-7-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyOYMBBZIQBVEPDV-NSHDSACASA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.28
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7466965
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8736548
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 2486517
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616316
(2S)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616315
2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 47267214
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316564

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide (CID 7870527) is (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide?
The InChIKey is OYMBBZIQBVEPDV-NSHDSACASA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-10-4-3-5-13(8-10)19-16(20)11(2)21-15-9-12(17)6-7-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide?
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide has a molecular weight of 340.28 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 7870527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).