(2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide

C16H16ClNO3S — CID 75395234

IUPAC(2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide
SMILESO=C(NCCS(=O)c1ccccc1)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO3S/c17-14-9-5-4-8-13(14)15(19)16(20)18-10-11-22(21)12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20)/t15-,22?/m1/s1
InChIKeyTVFMAPGDJDVFDF-JGHKVMFLSA-N
MW337.83 g/mol
LogP2.30
Rot. Bonds6

About (2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide

(2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide (PubChem CID 75395234) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is (2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide
PubChem CID75395234
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name(2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide
SMILESO=C(NCCS(=O)c1ccccc1)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO3S/c17-14-9-5-4-8-13(14)15(19)16(20)18-10-11-22(21)12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20)/t15-,22?/m1/s1
InChIKeyTVFMAPGDJDVFDF-JGHKVMFLSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-chlorophenyl)-2-hydroxyacetamide
CID 54257135
2-(2-chlorophenyl)-2-hydroxy-N-methylacetamide
CID 23548439
(2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136890763
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]acetamide
CID 124614262
(2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide
CID 95618501
4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide
CID 97016345
4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
CID 99773991
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
2-(2-chlorophenyl)-2-hydroxy-N-[[1-(methoxymethyl)cyclopentyl]methyl]acetamide
CID 91765732
2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 118765487
(2R)-2-(2-chlorophenyl)-2-(3-methylsulfinylpropylcarbamoylamino)acetic acid
CID 107316149
(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 6922876

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide?
The IUPAC name of (2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide (CID 75395234) is (2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide is O=C(NCCS(=O)c1ccccc1)[C@H](O)c1ccccc1Cl.
What is the InChIKey of (2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide?
The InChIKey is TVFMAPGDJDVFDF-JGHKVMFLSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c17-14-9-5-4-8-13(14)15(19)16(20)18-10-11-22(21)12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20)/t15-,22?/m1/s1.
What are the key properties of (2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide?
(2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide has a molecular weight of 337.83 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 75395234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).