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

C16H15Cl2NOS — CID 881396

IUPAC(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NOS/c1-10-3-4-13(18)9-15(10)19-16(20)11(2)21-14-7-5-12(17)6-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyIXYIEGDMIKIOIO-LLVKDONJSA-N
MW340.28 g/mol
LogP5.42
Rot. Bonds4

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

(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 881396) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
PubChem CID881396
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NOS/c1-10-3-4-13(18)9-15(10)19-16(20)11(2)21-14-7-5-12(17)6-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyIXYIEGDMIKIOIO-LLVKDONJSA-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

N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 134008118
2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 2957470
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
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
N-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 22780974
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2977201
(2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 42353215
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 32676805
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide (CID 881396) is (2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide is Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is IXYIEGDMIKIOIO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-10-3-4-13(18)9-15(10)19-16(20)11(2)21-14-7-5-12(17)6-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide 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 (2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 881396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).