N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide

C16H22ClNO3S — CID 99841899

IUPACN-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide
SMILESCC[C@H](NC(=O)C[S@@](=O)C1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO3S/c1-2-15(12-3-5-13(17)6-4-12)18-16(19)11-22(20)14-7-9-21-10-8-14/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)/t15-,22+/m0/s1
InChIKeyCNURCGHVJDVMAZ-OYHNWAKOSA-N
MW343.88 g/mol
LogP2.84
Rot. Bonds6

About N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide

N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide (PubChem CID 99841899) has the molecular formula C16H22ClNO3S and a molecular weight of 343.88 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide
PubChem CID99841899
Molecular FormulaC16H22ClNO3S
Molecular Weight343.88 g/mol
Exact Mass343.10
IUPAC NameN-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide
SMILESCC[C@H](NC(=O)C[S@@](=O)C1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO3S/c1-2-15(12-3-5-13(17)6-4-12)18-16(19)11-22(20)14-7-9-21-10-8-14/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)/t15-,22+/m0/s1
InChIKeyCNURCGHVJDVMAZ-OYHNWAKOSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide
CID 124627585
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide
CID 124627586
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide
CID 62211240
2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974662
3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 64685809
N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265788
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 32858382
1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 17182016
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
CID 107908718
3-(4-chlorophenyl)-3-(oxan-4-yl)propanoic acid;ethane
CID 144917380

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide (CID 99841899) is N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide is CC[C@H](NC(=O)C[S@@](=O)C1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide?
The InChIKey is CNURCGHVJDVMAZ-OYHNWAKOSA-N. The full InChI is InChI=1S/C16H22ClNO3S/c1-2-15(12-3-5-13(17)6-4-12)18-16(19)11-22(20)14-7-9-21-10-8-14/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)/t15-,22+/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide?
N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide has a molecular weight of 343.88 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide is sourced from PubChem (CID 99841899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).