(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide

C16H16ClNO3S — CID 97057298

IUPAC(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide
SMILESC[S@@](=O)c1cccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO3S/c1-22(21)14-4-2-3-13(9-14)18-16(20)10-15(19)11-5-7-12(17)8-6-11/h2-9,15,19H,10H2,1H3,(H,18,20)/t15-,22-/m1/s1
InChIKeyXCJVMBHSQUFXAX-IVZQSRNASA-N
MW337.83 g/mol
LogP3.14
Rot. Bonds5

About (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide

(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide (PubChem CID 97057298) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide
PubChem CID97057298
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide
SMILESC[S@@](=O)c1cccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO3S/c1-22(21)14-4-2-3-13(9-14)18-16(20)10-15(19)11-5-7-12(17)8-6-11/h2-9,15,19H,10H2,1H3,(H,18,20)/t15-,22-/m1/s1
InChIKeyXCJVMBHSQUFXAX-IVZQSRNASA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
CID 110026063
3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide
CID 110009750
3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 167840355
(3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
CID 97117715
2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfinylphenyl)acetamide
CID 143538723
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide
CID 46585410
3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide
CID 51195259
1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-[3-[(R)-methylsulfinyl]phenyl]urea
CID 99777248
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide (CID 97057298) is (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide is C[S@@](=O)c1cccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide?
The InChIKey is XCJVMBHSQUFXAX-IVZQSRNASA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-22(21)14-4-2-3-13(9-14)18-16(20)10-15(19)11-5-7-12(17)8-6-11/h2-9,15,19H,10H2,1H3,(H,18,20)/t15-,22-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide?
(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide has a molecular weight of 337.83 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide is sourced from PubChem (CID 97057298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).