2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide

C17H18ClNO2S — CID 90581804

IUPAC2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(O)CNC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-22-14-8-6-12(7-9-14)16(20)11-19-17(21)10-13-4-2-3-5-15(13)18/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyQACYQSBGJKPYHB-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.45
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide

2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 90581804) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID90581804
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(O)CNC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-22-14-8-6-12(7-9-14)16(20)11-19-17(21)10-13-4-2-3-5-15(13)18/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyQACYQSBGJKPYHB-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]acetamide
CID 97105924
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 97416790
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
N-benzyl-N'-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 71803886
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039
2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113258913
2-(2-chlorophenyl)-N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]acetamide
CID 124892016
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391345
N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
CID 114308630
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
(2R)-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
CID 97416820
(2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
CID 97416822

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide (CID 90581804) is 2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(C(O)CNC(=O)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is QACYQSBGJKPYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-22-14-8-6-12(7-9-14)16(20)11-19-17(21)10-13-4-2-3-5-15(13)18/h2-9,16,20H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 335.86 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 90581804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).