N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide

C14H21NO2S — CID 113244448

IUPACN-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSC(C)C(C)O)cc1C
InChIInChI=1S/C14H21NO2S/c1-9-5-6-13(7-10(9)2)15-14(17)8-18-12(4)11(3)16/h5-7,11-12,16H,8H2,1-4H3,(H,15,17)
InChIKeyLGFMXRHIOQKWAO-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.74
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide

N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide (PubChem CID 113244448) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
PubChem CID113244448
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSC(C)C(C)O)cc1C
InChIInChI=1S/C14H21NO2S/c1-9-5-6-13(7-10(9)2)15-14(17)8-18-12(4)11(3)16/h5-7,11-12,16H,8H2,1-4H3,(H,15,17)
InChIKeyLGFMXRHIOQKWAO-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 107770544
2-[(2S,3R)-3-hydroxybutan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 96537329
N-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705933
3-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoylamino]propanoic acid
CID 82032975
2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
CID 79683189
N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705546
2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 6952062
3-cyano-N-(3,4-dimethylphenyl)butanamide
CID 82113806
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032012
propan-2-yl 4-[[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732140
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide (CID 113244448) is N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide is Cc1ccc(NC(=O)CSC(C)C(C)O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The InChIKey is LGFMXRHIOQKWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9-5-6-13(7-10(9)2)15-14(17)8-18-12(4)11(3)16/h5-7,11-12,16H,8H2,1-4H3,(H,15,17).
What are the key properties of N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 113244448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).