N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide

C14H21NO2S — CID 65416437

IUPACN-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSC(C)CCO)c1
InChIInChI=1S/C14H21NO2S/c1-10-4-5-11(2)13(8-10)15-14(17)9-18-12(3)6-7-16/h4-5,8,12,16H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyKYLCZNYWFRUTHW-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.75
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide

N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide (PubChem CID 65416437) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
PubChem CID65416437
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSC(C)CCO)c1
InChIInChI=1S/C14H21NO2S/c1-10-4-5-11(2)13(8-10)15-14(17)9-18-12(3)6-7-16/h4-5,8,12,16H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyKYLCZNYWFRUTHW-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032011
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 8712604
2-amino-3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385259
N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639859
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
(2S)-N-(2,5-dimethylphenyl)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanamide
CID 7729734
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide (CID 65416437) is N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide is Cc1ccc(C)c(NC(=O)CSC(C)CCO)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
The InChIKey is KYLCZNYWFRUTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-4-5-11(2)13(8-10)15-14(17)9-18-12(3)6-7-16/h4-5,8,12,16H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide?
N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 65416437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).