(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide

C16H15Cl2NOS — CID 7466965

IUPAC(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-10-5-3-6-12(9-10)19-16(20)11(2)21-15-13(17)7-4-8-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyKBYNKYHTFPEXGF-LLVKDONJSA-N
MW340.28 g/mol
LogP5.42
Rot. Bonds4

About (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide

(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide (PubChem CID 7466965) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
PubChem CID7466965
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-10-5-3-6-12(9-10)19-16(20)11(2)21-15-13(17)7-4-8-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyKBYNKYHTFPEXGF-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

(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7870527
(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847766
2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide
CID 47115195
(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847771
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 7466947
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide
CID 42912749
(2R)-N-(3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 7795549
(2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 92881948
N-(3-chloro-4-methoxyphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639801
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316564

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide (CID 7466965) is (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)c1.
What is the InChIKey of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide?
The InChIKey is KBYNKYHTFPEXGF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-10-5-3-6-12(9-10)19-16(20)11(2)21-15-13(17)7-4-8-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide?
(2R)-2-(2,6-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 (2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 7466965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).