(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide

C16H14Cl3NO2S — CID 7466943

IUPAC(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl3NO2S/c1-9(23-15-11(18)4-3-5-12(15)19)16(21)20-13-8-10(17)6-7-14(13)22-2/h3-9H,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyNRAMAHYEAARVKP-VIFPVBQESA-N
MW390.72 g/mol
LogP5.77
Rot. Bonds5

About (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide (PubChem CID 7466943) has the molecular formula C16H14Cl3NO2S and a molecular weight of 390.72 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
PubChem CID7466943
Molecular FormulaC16H14Cl3NO2S
Molecular Weight390.72 g/mol
Exact Mass388.98
IUPAC Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl3NO2S/c1-9(23-15-11(18)4-3-5-12(15)19)16(21)20-13-8-10(17)6-7-14(13)22-2/h3-9H,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyNRAMAHYEAARVKP-VIFPVBQESA-N
XLogP5.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.72
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 23100138
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 7415744
2,4-dichloro-N-[3-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18902141
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7760225
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363756
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-phenylsulfanylpropanoate
CID 7806467
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 135552557
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2563340
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 46626706

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide (CID 7466943) is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide is COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1c(Cl)cccc1Cl.
What is the InChIKey of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
The InChIKey is NRAMAHYEAARVKP-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14Cl3NO2S/c1-9(23-15-11(18)4-3-5-12(15)19)16(21)20-13-8-10(17)6-7-14(13)22-2/h3-9H,1-2H3,(H,20,21)/t9-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide?
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide has a molecular weight of 390.72 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7466943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).