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

C11H11NO3S — CID 3150942

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
SMILESO=C(NC1C=CS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C11H11NO3S/c13-11(9-4-2-1-3-5-9)12-10-6-7-16(14,15)8-10/h1-7,10H,8H2,(H,12,13)
InChIKeyXKCPWDPWLFQCKE-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.73
Rot. Bonds2

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

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide (PubChem CID 3150942) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
PubChem CID3150942
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
SMILESO=C(NC1C=CS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C11H11NO3S/c13-11(9-4-2-1-3-5-9)12-10-6-7-16(14,15)8-10/h1-7,10H,8H2,(H,12,13)
InChIKeyXKCPWDPWLFQCKE-UHFFFAOYSA-N
XLogP0.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
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)benzamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide (CID 3150942) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide is O=C(NC1C=CS(=O)(=O)C1)c1ccccc1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide?
The InChIKey is XKCPWDPWLFQCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-11(9-4-2-1-3-5-9)12-10-6-7-16(14,15)8-10/h1-7,10H,8H2,(H,12,13).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide has a molecular weight of 237.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 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)benzamide is sourced from PubChem (CID 3150942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).