N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide

C13H19NO2S — CID 110466057

IUPACN-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide
SMILESCCC(CO)NC(=O)Cc1ccccc1SC
InChIInChI=1S/C13H19NO2S/c1-3-11(9-15)14-13(16)8-10-6-4-5-7-12(10)17-2/h4-7,11,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyPQZWPSLQDVTYON-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.84
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide

N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide (PubChem CID 110466057) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide
PubChem CID110466057
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide
SMILESCCC(CO)NC(=O)Cc1ccccc1SC
InChIInChI=1S/C13H19NO2S/c1-3-11(9-15)14-13(16)8-10-6-4-5-7-12(10)17-2/h4-7,11,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyPQZWPSLQDVTYON-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
2-(2-methylsulfanylphenyl)-N-propylacetamide
CID 110485576
N-[(2S)-1-hydroxybutan-2-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 93032378
2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide
CID 111778068
3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484
N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 114307554
N-[(2R)-1-hydroxybutan-2-yl]-2-pyridin-4-ylacetamide
CID 103961002
2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920089
N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
CID 93032349
N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276
N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
CID 43390274

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide (CID 110466057) is N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide is CCC(CO)NC(=O)Cc1ccccc1SC.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide?
The InChIKey is PQZWPSLQDVTYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-11(9-15)14-13(16)8-10-6-4-5-7-12(10)17-2/h4-7,11,15H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide?
N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 110466057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).