(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide

C18H20ClNO3S — CID 30390941

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C18H20ClNO3S/c1-4-17(24-14-8-5-12(19)6-9-14)18(21)20-15-11-13(22-2)7-10-16(15)23-3/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyYHTXJGSZUSQVSQ-QGZVFWFLSA-N
MW365.88 g/mol
LogP4.87
Rot. Bonds7

About (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide (PubChem CID 30390941) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide
PubChem CID30390941
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C18H20ClNO3S/c1-4-17(24-14-8-5-12(19)6-9-14)18(21)20-15-11-13(22-2)7-10-16(15)23-3/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyYHTXJGSZUSQVSQ-QGZVFWFLSA-N
XLogP4.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)butanamide
CID 92684483
2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 43876896
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)butanamide
CID 18902551
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 28631688
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methoxyphenyl)butanamide
CID 18901133
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
4-[3-[1-(2,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 18897163
N-[3-[1-(2,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 18903991
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide (CID 30390941) is (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide?
The InChIKey is YHTXJGSZUSQVSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-4-17(24-14-8-5-12(19)6-9-14)18(21)20-15-11-13(22-2)7-10-16(15)23-3/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide has a molecular weight of 365.88 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide is sourced from PubChem (CID 30390941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).