4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide

C18H18N2O2S — CID 33002746

IUPAC4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide
SMILESC=CCSc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H18N2O2S/c1-3-12-23-17-7-5-4-6-16(17)20-18(22)14-8-10-15(11-9-14)19-13(2)21/h3-11H,1,12H2,2H3,(H,19,21)(H,20,22)
InChIKeyWMANXXIERJMQRP-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.18
Rot. Bonds6

About 4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide

4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide (PubChem CID 33002746) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide
PubChem CID33002746
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide
SMILESC=CCSc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H18N2O2S/c1-3-12-23-17-7-5-4-6-16(17)20-18(22)14-8-10-15(11-9-14)19-13(2)21/h3-11H,1,12H2,2H3,(H,19,21)(H,20,22)
InChIKeyWMANXXIERJMQRP-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26813748
3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229
4-bromo-3-chloro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 81296027
3-bromo-5-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 104851985
2-methoxy-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 113225560
2,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)-1H-indole-5-carboxamide
CID 46636880
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 27990972
2-(aminomethyl)-N-(2-prop-2-enylsulfanylphenyl)pyridine-4-carboxamide
CID 114325909
4-chloro-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 27990971
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
3-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 61102392

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide?
The IUPAC name of 4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide (CID 33002746) is 4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide?
The canonical SMILES for 4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide is C=CCSc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide?
The InChIKey is WMANXXIERJMQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-12-23-17-7-5-4-6-16(17)20-18(22)14-8-10-15(11-9-14)19-13(2)21/h3-11H,1,12H2,2H3,(H,19,21)(H,20,22).
What are the key properties of 4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide?
4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide is sourced from PubChem (CID 33002746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).