N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide

C13H18ClNO3S — CID 124627586

IUPACN-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide
SMILESCC[C@@H](NC(=O)C[S@](=O)CCO)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c1-2-12(10-3-5-11(14)6-4-10)15-13(17)9-19(18)8-7-16/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)/t12-,19-/m1/s1
InChIKeyPNYWPVRWKZUOIM-CWTRNNRKSA-N
MW303.81 g/mol
LogP1.65
Rot. Bonds7

About N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide

N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide (PubChem CID 124627586) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide
PubChem CID124627586
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC NameN-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide
SMILESCC[C@@H](NC(=O)C[S@](=O)CCO)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c1-2-12(10-3-5-11(14)6-4-10)15-13(17)9-19(18)8-7-16/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)/t12-,19-/m1/s1
InChIKeyPNYWPVRWKZUOIM-CWTRNNRKSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide
CID 124627585
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide
CID 99841899
3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 64685809
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
CID 107908718
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
5-[1-(4-chlorophenyl)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933020
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide
CID 166291370
2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide (CID 124627586) is N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide is CC[C@@H](NC(=O)C[S@](=O)CCO)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide?
The InChIKey is PNYWPVRWKZUOIM-CWTRNNRKSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-2-12(10-3-5-11(14)6-4-10)15-13(17)9-19(18)8-7-16/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)/t12-,19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide?
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide has a molecular weight of 303.81 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide is sourced from PubChem (CID 124627586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).