2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

C14H20ClNO3S — CID 103801277

IUPAC2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NC(C)C(CO)SC
InChIInChI=1S/C14H20ClNO3S/c1-9(13(8-17)20-3)16-14(18)7-10-6-11(15)4-5-12(10)19-2/h4-6,9,13,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyYDMHSQBCVGVIMV-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.12
Rot. Bonds7

About 2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (PubChem CID 103801277) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
PubChem CID103801277
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NC(C)C(CO)SC
InChIInChI=1S/C14H20ClNO3S/c1-9(13(8-17)20-3)16-14(18)7-10-6-11(15)4-5-12(10)19-2/h4-6,9,13,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyYDMHSQBCVGVIMV-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801467
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9092722
(2R)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 78975845
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid
CID 43388208
3-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methoxybenzamide
CID 103801471
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61143813
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107563797
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide
CID 103801417

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (CID 103801277) is 2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is COc1ccc(Cl)cc1CC(=O)NC(C)C(CO)SC.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is YDMHSQBCVGVIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-9(13(8-17)20-3)16-14(18)7-10-6-11(15)4-5-12(10)19-2/h4-6,9,13,17H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 317.84 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 103801277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).