N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide

C17H14N2O3S — CID 144621161

IUPACN-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide
SMILESO=C(Nc1ccc2occc2c1)c1ccc(N2CCS2=O)cc1
InChIInChI=1S/C17H14N2O3S/c20-17(18-14-3-6-16-13(11-14)7-9-22-16)12-1-4-15(5-2-12)19-8-10-23(19)21/h1-7,9,11H,8,10H2,(H,18,20)
InChIKeyHNVNAZWBQHGPQI-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.17
Rot. Bonds3

About N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide

N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide (PubChem CID 144621161) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide
PubChem CID144621161
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide
SMILESO=C(Nc1ccc2occc2c1)c1ccc(N2CCS2=O)cc1
InChIInChI=1S/C17H14N2O3S/c20-17(18-14-3-6-16-13(11-14)7-9-22-16)12-1-4-15(5-2-12)19-8-10-23(19)21/h1-7,9,11H,8,10H2,(H,18,20)
InChIKeyHNVNAZWBQHGPQI-UHFFFAOYSA-N
XLogP3.17
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621769
N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(1-oxothiazetidin-2-yl)benzamide
CID 144621779
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(1-oxothiazinan-2-yl)benzamide
CID 144620837
N-pyridin-2-yl-1-benzofuran-5-carboxamide
CID 90129476
1-benzofuran-5-carbonyl iodide
CID 143843606
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide
CID 144621872
N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide;chloromethane;ethene;methanamine
CID 144621315
4-methoxy-N-(4-oxochromen-6-yl)benzamide
CID 22371111
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 141096620
N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane
CID 144621048
N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621473
2-(1-benzofuran-5-yl)prop-2-enoic acid
CID 23452675

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide?
The IUPAC name of N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide (CID 144621161) is N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide.
What is the SMILES notation for N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide?
The canonical SMILES for N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide is O=C(Nc1ccc2occc2c1)c1ccc(N2CCS2=O)cc1.
What is the InChIKey of N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide?
The InChIKey is HNVNAZWBQHGPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-17(18-14-3-6-16-13(11-14)7-9-22-16)12-1-4-15(5-2-12)19-8-10-23(19)21/h1-7,9,11H,8,10H2,(H,18,20).
What are the key properties of N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide?
N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide has a molecular weight of 326.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide is sourced from PubChem (CID 144621161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).