N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide

C18H14N2OS — CID 13052844

IUPACN-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide
SMILESN#CC1=C(NC(=O)c2ccccc2)SCC1c1ccccc1
InChIInChI=1S/C18H14N2OS/c19-11-15-16(13-7-3-1-4-8-13)12-22-18(15)20-17(21)14-9-5-2-6-10-14/h1-10,16H,12H2,(H,20,21)
InChIKeyMPDWTEISEUTAOY-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.68
Rot. Bonds3

About N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide

N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide (PubChem CID 13052844) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide
PubChem CID13052844
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC NameN-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide
SMILESN#CC1=C(NC(=O)c2ccccc2)SCC1c1ccccc1
InChIInChI=1S/C18H14N2OS/c19-11-15-16(13-7-3-1-4-8-13)12-22-18(15)20-17(21)14-9-5-2-6-10-14/h1-10,16H,12H2,(H,20,21)
InChIKeyMPDWTEISEUTAOY-UHFFFAOYSA-N
XLogP3.68
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide?
The IUPAC name of N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide (CID 13052844) is N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide.
What is the SMILES notation for N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide?
The canonical SMILES for N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide is N#CC1=C(NC(=O)c2ccccc2)SCC1c1ccccc1.
What is the InChIKey of N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide?
The InChIKey is MPDWTEISEUTAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c19-11-15-16(13-7-3-1-4-8-13)12-22-18(15)20-17(21)14-9-5-2-6-10-14/h1-10,16H,12H2,(H,20,21).
What are the key properties of N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide?
N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide has a molecular weight of 306.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-phenyl-2,3-dihydrothiophen-5-yl)benzamide is sourced from PubChem (CID 13052844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).