4-acetamido-N-(3-phenylsulfanylpropyl)benzamide

C18H20N2O2S — CID 24686181

IUPAC4-acetamido-N-(3-phenylsulfanylpropyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-14(21)20-16-10-8-15(9-11-16)18(22)19-12-5-13-23-17-6-3-2-4-7-17/h2-4,6-11H,5,12-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyMVSFWCHEKWICQS-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.56
Rot. Bonds7

About 4-acetamido-N-(3-phenylsulfanylpropyl)benzamide

4-acetamido-N-(3-phenylsulfanylpropyl)benzamide (PubChem CID 24686181) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-acetamido-N-(3-phenylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(3-phenylsulfanylpropyl)benzamide
PubChem CID24686181
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-acetamido-N-(3-phenylsulfanylpropyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-14(21)20-16-10-8-15(9-11-16)18(22)19-12-5-13-23-17-6-3-2-4-7-17/h2-4,6-11H,5,12-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyMVSFWCHEKWICQS-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(3-phenylsulfanylpropyl)benzamide?
The IUPAC name of 4-acetamido-N-(3-phenylsulfanylpropyl)benzamide (CID 24686181) is 4-acetamido-N-(3-phenylsulfanylpropyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(3-phenylsulfanylpropyl)benzamide?
The canonical SMILES for 4-acetamido-N-(3-phenylsulfanylpropyl)benzamide is CC(=O)Nc1ccc(C(=O)NCCCSc2ccccc2)cc1.
What is the InChIKey of 4-acetamido-N-(3-phenylsulfanylpropyl)benzamide?
The InChIKey is MVSFWCHEKWICQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-14(21)20-16-10-8-15(9-11-16)18(22)19-12-5-13-23-17-6-3-2-4-7-17/h2-4,6-11H,5,12-13H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-acetamido-N-(3-phenylsulfanylpropyl)benzamide?
4-acetamido-N-(3-phenylsulfanylpropyl)benzamide has a molecular weight of 328.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(3-phenylsulfanylpropyl)benzamide is sourced from PubChem (CID 24686181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).