2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide

C17H18N2O2S — CID 134064897

IUPAC2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide
SMILESNCCSCC(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c18-10-11-22-12-16(20)19-15-9-5-4-8-14(15)17(21)13-6-2-1-3-7-13/h1-9H,10-12,18H2,(H,19,20)
InChIKeyZDGVHBLKFGPOEM-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.55
Rot. Bonds7

About 2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide

2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide (PubChem CID 134064897) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide
PubChem CID134064897
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide
SMILESNCCSCC(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c18-10-11-22-12-16(20)19-15-9-5-4-8-14(15)17(21)13-6-2-1-3-7-13/h1-9H,10-12,18H2,(H,19,20)
InChIKeyZDGVHBLKFGPOEM-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914
N-(2-benzoylphenyl)-3-chloropropanamide
CID 25323415
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide
CID 23824405
N-(2-benzoylphenyl)-2-(2-chlorophenyl)acetamide
CID 100633810
N-(2-benzoylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2521602
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-benzoylphenyl)acetamide
CID 24661396
[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate
CID 4664729
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 4989481
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide (CID 134064897) is 2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide is NCCSCC(=O)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide?
The InChIKey is ZDGVHBLKFGPOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c18-10-11-22-12-16(20)19-15-9-5-4-8-14(15)17(21)13-6-2-1-3-7-13/h1-9H,10-12,18H2,(H,19,20).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide?
2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide is sourced from PubChem (CID 134064897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).