2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide

C13H17Cl2NO2S — CID 75384190

IUPAC2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide
SMILESCSCC(CCO)NC(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c1-19-8-11(4-5-17)16-13(18)7-9-6-10(14)2-3-12(9)15/h2-3,6,11,17H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyJACMTYWBFGPEEJ-UHFFFAOYSA-N
MW322.26 g/mol
LogP2.77
Rot. Bonds7

About 2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide

2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide (PubChem CID 75384190) has the molecular formula C13H17Cl2NO2S and a molecular weight of 322.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide
PubChem CID75384190
Molecular FormulaC13H17Cl2NO2S
Molecular Weight322.26 g/mol
Exact Mass321.04
IUPAC Name2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide
SMILESCSCC(CCO)NC(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c1-19-8-11(4-5-17)16-13(18)7-9-6-10(14)2-3-12(9)15/h2-3,6,11,17H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyJACMTYWBFGPEEJ-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750934
2-chloro-3-fluoro-N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]benzamide
CID 97328535
2,3,5,6-tetrafluoro-N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]benzamide
CID 97328543
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2,3,4-trifluorophenyl)urea
CID 111452632
2-[(2,5-dichlorophenyl)methylamino]pentanoic acid
CID 65316981
3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115761702
(2R)-2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-4-hydroxybutanoic acid
CID 107822998
N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide
CID 97328538
3-(2,5-dichlorophenyl)-1,1-dimethoxypropan-2-one
CID 79492729
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide (CID 75384190) is 2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide is CSCC(CCO)NC(=O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is JACMTYWBFGPEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2S/c1-19-8-11(4-5-17)16-13(18)7-9-6-10(14)2-3-12(9)15/h2-3,6,11,17H,4-5,7-8H2,1H3,(H,16,18).
What are the key properties of 2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide?
2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 322.26 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 75384190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).