N-(3-acetamidophenyl)-2-butylsulfanylacetamide

C14H20N2O2S — CID 31858519

IUPACN-(3-acetamidophenyl)-2-butylsulfanylacetamide
SMILESCCCCSCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H20N2O2S/c1-3-4-8-19-10-14(18)16-13-7-5-6-12(9-13)15-11(2)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyIJVDZIYFDMEERC-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.12
Rot. Bonds7

About N-(3-acetamidophenyl)-2-butylsulfanylacetamide

N-(3-acetamidophenyl)-2-butylsulfanylacetamide (PubChem CID 31858519) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-butylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-butylsulfanylacetamide
PubChem CID31858519
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(3-acetamidophenyl)-2-butylsulfanylacetamide
SMILESCCCCSCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H20N2O2S/c1-3-4-8-19-10-14(18)16-13-7-5-6-12(9-13)15-11(2)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyIJVDZIYFDMEERC-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
2-butylsulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 112781325
N-[4-(2-butylsulfanylacetyl)phenyl]acetamide
CID 71201159
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
2-butylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 31848144
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 4797149
4-butylsulfanyl-N-(3-cyanophenyl)butanamide
CID 43615804
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(4-acetamidophenyl)-2-(3-cyanopropylsulfanyl)acetamide
CID 82531341
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide
CID 47292724

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-butylsulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-butylsulfanylacetamide (CID 31858519) is N-(3-acetamidophenyl)-2-butylsulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-butylsulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-butylsulfanylacetamide is CCCCSCC(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-butylsulfanylacetamide?
The InChIKey is IJVDZIYFDMEERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-4-8-19-10-14(18)16-13-7-5-6-12(9-13)15-11(2)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-acetamidophenyl)-2-butylsulfanylacetamide?
N-(3-acetamidophenyl)-2-butylsulfanylacetamide has a molecular weight of 280.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-butylsulfanylacetamide is sourced from PubChem (CID 31858519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).