(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide

C17H17ClFNO3S — CID 8859309

IUPAC(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(F)c(Cl)c2)cc1OC
InChIInChI=1S/C17H17ClFNO3S/c1-10(24-12-5-6-14(19)13(18)9-12)17(21)20-11-4-7-15(22-2)16(8-11)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyREKCNKQNARTZQM-SNVBAGLBSA-N
MW369.85 g/mol
LogP4.62
Rot. Bonds6

About (2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide

(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 8859309) has the molecular formula C17H17ClFNO3S and a molecular weight of 369.85 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID8859309
Molecular FormulaC17H17ClFNO3S
Molecular Weight369.85 g/mol
Exact Mass369.06
IUPAC Name(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(F)c(Cl)c2)cc1OC
InChIInChI=1S/C17H17ClFNO3S/c1-10(24-12-5-6-14(19)13(18)9-12)17(21)20-11-4-7-15(22-2)16(8-11)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyREKCNKQNARTZQM-SNVBAGLBSA-N
XLogP4.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310323
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 55417451
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 43026503
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
CID 92674042
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
N-[4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 23095269
(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94864154
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
(2R)-N-(3-acetylphenyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 30400035
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500487

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide (CID 8859309) is (2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)[C@@H](C)Sc2ccc(F)c(Cl)c2)cc1OC.
What is the InChIKey of (2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is REKCNKQNARTZQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17ClFNO3S/c1-10(24-12-5-6-14(19)13(18)9-12)17(21)20-11-4-7-15(22-2)16(8-11)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide?
(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 369.85 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 8859309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).