N-(2-oxothiolan-3-yl)benzamide

C11H11NO2S — CID 2843021

IUPACN-(2-oxothiolan-3-yl)benzamide
SMILESO=C(NC1CCSC1=O)c1ccccc1
InChIInChI=1S/C11H11NO2S/c13-10(8-4-2-1-3-5-8)12-9-6-7-15-11(9)14/h1-5,9H,6-7H2,(H,12,13)
InChIKeyGHUVBMYECVDQDY-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.45
Rot. Bonds2

About N-(2-oxothiolan-3-yl)benzamide

N-(2-oxothiolan-3-yl)benzamide (PubChem CID 2843021) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(2-oxothiolan-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-oxothiolan-3-yl)benzamide
PubChem CID2843021
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC NameN-(2-oxothiolan-3-yl)benzamide
SMILESO=C(NC1CCSC1=O)c1ccccc1
InChIInChI=1S/C11H11NO2S/c13-10(8-4-2-1-3-5-8)12-9-6-7-15-11(9)14/h1-5,9H,6-7H2,(H,12,13)
InChIKeyGHUVBMYECVDQDY-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Isopropylbenzamide
CID 79503
N-Allylbenzamide
CID 307242
N-(6-Mercapto-hexyl)-benzamide
CID 11447748
3-chloro-N-tetrahydro-3-thiophenylbenzamide
CID 2805655
N-(sec-butyl)-2-(methylthio)benzamide
CID 2962961
N-(1-methylbutyl)-2-(methylthio)benzamide
CID 2981526
Benzoyl-dl-methionine
CID 295480
1-N,3-N-bis(2-oxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 647954
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
Benzamide, N-cyclopropyl-
CID 27133
N-(2-amino-2-oxoethyl)benzamide
CID 238721

Frequently Asked Questions

What is the IUPAC name of N-(2-oxothiolan-3-yl)benzamide?
The IUPAC name of N-(2-oxothiolan-3-yl)benzamide (CID 2843021) is N-(2-oxothiolan-3-yl)benzamide.
What is the SMILES notation for N-(2-oxothiolan-3-yl)benzamide?
The canonical SMILES for N-(2-oxothiolan-3-yl)benzamide is O=C(NC1CCSC1=O)c1ccccc1.
What is the InChIKey of N-(2-oxothiolan-3-yl)benzamide?
The InChIKey is GHUVBMYECVDQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c13-10(8-4-2-1-3-5-8)12-9-6-7-15-11(9)14/h1-5,9H,6-7H2,(H,12,13).
What are the key properties of N-(2-oxothiolan-3-yl)benzamide?
N-(2-oxothiolan-3-yl)benzamide has a molecular weight of 221.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxothiolan-3-yl)benzamide is sourced from PubChem (CID 2843021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).