N-[4-(2-butylsulfanylacetyl)phenyl]acetamide

C14H19NO2S — CID 71201159

IUPACN-[4-(2-butylsulfanylacetyl)phenyl]acetamide
SMILESCCCCSCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H19NO2S/c1-3-4-9-18-10-14(17)12-5-7-13(8-6-12)15-11(2)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyIXSAWUKNLUHYRH-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.36
Rot. Bonds7

About N-[4-(2-butylsulfanylacetyl)phenyl]acetamide

N-[4-(2-butylsulfanylacetyl)phenyl]acetamide (PubChem CID 71201159) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[4-(2-butylsulfanylacetyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-butylsulfanylacetyl)phenyl]acetamide
PubChem CID71201159
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[4-(2-butylsulfanylacetyl)phenyl]acetamide
SMILESCCCCSCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H19NO2S/c1-3-4-9-18-10-14(17)12-5-7-13(8-6-12)15-11(2)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyIXSAWUKNLUHYRH-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-nonanoylphenyl)acetamide
CID 65449309
1-(4-bromophenyl)-2-pentylsulfanylethanone
CID 107752481
N-(3-acetamidophenyl)-2-butylsulfanylacetamide
CID 31858519
N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide
CID 71201175
1-(4-methoxyphenyl)-2-pentylsulfanylethanone
CID 107752497
2-pentylsulfanyl-1-(4-phenylphenyl)ethanone
CID 129028325
1-(4-nitrophenyl)-2-pentylsulfanylethanone
CID 107752457
1-(4-methylsulfanylphenyl)-2-propylsulfanylethanone
CID 43802078
4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298256
N-[4-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 7692278
N-(4-acetamidophenyl)-2-(3-cyanopropylsulfanyl)acetamide
CID 82531341
N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-butylsulfanylacetyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-butylsulfanylacetyl)phenyl]acetamide (CID 71201159) is N-[4-(2-butylsulfanylacetyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-butylsulfanylacetyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-butylsulfanylacetyl)phenyl]acetamide is CCCCSCC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(2-butylsulfanylacetyl)phenyl]acetamide?
The InChIKey is IXSAWUKNLUHYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-4-9-18-10-14(17)12-5-7-13(8-6-12)15-11(2)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(2-butylsulfanylacetyl)phenyl]acetamide?
N-[4-(2-butylsulfanylacetyl)phenyl]acetamide has a molecular weight of 265.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-butylsulfanylacetyl)phenyl]acetamide is sourced from PubChem (CID 71201159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).