N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide

C17H15NO3S — CID 646911

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H15NO3S/c19-17(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)16-11-12-22(20,21)13-16/h1-12,16H,13H2
InChIKeyWPEAPXCOOVMMSS-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.64
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide (PubChem CID 646911) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide
PubChem CID646911
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H15NO3S/c19-17(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)16-11-12-22(20,21)13-16/h1-12,16H,13H2
InChIKeyWPEAPXCOOVMMSS-UHFFFAOYSA-N
XLogP2.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide (CID 646911) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide is O=C(c1ccccc1)N(c1ccccc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide?
The InChIKey is WPEAPXCOOVMMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-17(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)16-11-12-22(20,21)13-16/h1-12,16H,13H2.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide has a molecular weight of 313.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzamide is sourced from PubChem (CID 646911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).