(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide

C17H18ClNO2S — CID 94038324

IUPAC(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)SCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2S/c1-12(22-11-13-6-5-7-14(18)10-13)17(20)19-15-8-3-4-9-16(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyPLTJRTXIPRCHAY-GFCCVEGCSA-N
MW335.86 g/mol
LogP4.61
Rot. Bonds6

About (2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide

(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide (PubChem CID 94038324) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
PubChem CID94038324
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)SCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2S/c1-12(22-11-13-6-5-7-14(18)10-13)17(20)19-15-8-3-4-9-16(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyPLTJRTXIPRCHAY-GFCCVEGCSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038326
(2S)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038325
2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 42961403
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82179913
N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639868
2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82181810
2-(cyanomethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82180832
N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide
CID 55792231
(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731710
(2S)-2-[(3-chlorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94199759
2-[(3-bromophenyl)methylsulfanyl]-N-(5-chloro-2-methylphenyl)propanamide
CID 47011599

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide (CID 94038324) is (2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@@H](C)SCc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is PLTJRTXIPRCHAY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-12(22-11-13-6-5-7-14(18)10-13)17(20)19-15-8-3-4-9-16(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide?
(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 335.86 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 94038324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).