(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

C16H14ClF2NOS — CID 9310309

IUPAC(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C16H14ClF2NOS/c1-9-12(17)4-3-5-15(9)20-16(21)10(2)22-11-6-7-13(18)14(19)8-11/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyUEBIHTMNVHKKOO-JTQLQIEISA-N
MW341.81 g/mol
LogP5.05
Rot. Bonds4

About (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (PubChem CID 9310309) has the molecular formula C16H14ClF2NOS and a molecular weight of 341.81 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
PubChem CID9310309
Molecular FormulaC16H14ClF2NOS
Molecular Weight341.81 g/mol
Exact Mass341.05
IUPAC Name(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C16H14ClF2NOS/c1-9-12(17)4-3-5-15(9)20-16(21)10(2)22-11-6-7-13(18)14(19)8-11/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyUEBIHTMNVHKKOO-JTQLQIEISA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.81
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500487
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 7737005
N-[4-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 19630056
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737186
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737187
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
(2R)-N-(3-chloro-2-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8888554

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (CID 9310309) is (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1ccc(F)c(F)c1.
What is the InChIKey of (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is UEBIHTMNVHKKOO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14ClF2NOS/c1-9-12(17)4-3-5-15(9)20-16(21)10(2)22-11-6-7-13(18)14(19)8-11/h3-8,10H,1-2H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 341.81 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 9310309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).