2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide

C18H18N2O2S — CID 2228039

IUPAC2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C18H18N2O2S/c1-3-12-19-17(21)13-8-4-6-10-15(13)20-18(22)14-9-5-7-11-16(14)23-2/h3-11H,1,12H2,2H3,(H,19,21)(H,20,22)
InChIKeyPNQNSOMHPBZBTO-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.58
Rot. Bonds6

About 2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide

2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide (PubChem CID 2228039) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
PubChem CID2228039
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C18H18N2O2S/c1-3-12-19-17(21)13-8-4-6-10-15(13)20-18(22)14-9-5-7-11-16(14)23-2/h3-11H,1,12H2,2H3,(H,19,21)(H,20,22)
InChIKeyPNQNSOMHPBZBTO-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706798
2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide
CID 34744685
2-(ethylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932772
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide (CID 2228039) is 2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1SC.
What is the InChIKey of 2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is PNQNSOMHPBZBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-12-19-17(21)13-8-4-6-10-15(13)20-18(22)14-9-5-7-11-16(14)23-2/h3-11H,1,12H2,2H3,(H,19,21)(H,20,22).
What are the key properties of 2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide?
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 2228039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).