N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide

C23H18ClN3O3S — CID 144621769

IUPACN-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3occc23)c1)c1ccc(N2CCCS2=O)cc1
InChIInChI=1S/C23H18ClN3O3S/c24-20-7-4-16(14-19(20)22-18-9-12-30-21(18)8-10-25-22)26-23(28)15-2-5-17(6-3-15)27-11-1-13-31(27)29/h2-10,12,14H,1,11,13H2,(H,26,28)
InChIKeyDSXGFEMOQPVZHV-UHFFFAOYSA-N
MW451.94 g/mol
LogP5.27
Rot. Bonds4

About N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide

N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 144621769) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID144621769
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC NameN-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3occc23)c1)c1ccc(N2CCCS2=O)cc1
InChIInChI=1S/C23H18ClN3O3S/c24-20-7-4-16(14-19(20)22-18-9-12-30-21(18)8-10-25-22)26-23(28)15-2-5-17(6-3-15)27-11-1-13-31(27)29/h2-10,12,14H,1,11,13H2,(H,26,28)
InChIKeyDSXGFEMOQPVZHV-UHFFFAOYSA-N
XLogP5.27
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.94
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide
CID 144621872
butane;N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,2,6-thiadiazinan-2-yl)benzamide
CID 144621480
N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide;chloromethane;ethene;methanamine
CID 144621315
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(1-oxothiazinan-2-yl)benzamide
CID 144620837
N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide
CID 144621594
N-(1-benzofuran-5-yl)-4-(1-oxothiazetidin-2-yl)benzamide
CID 144621161
N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide
CID 144621930
N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(1-oxothiazetidin-2-yl)benzamide
CID 144621779
2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621410
N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90130248
N-[4-chloro-3-(4-cyano-2-pyridinyl)phenyl]-4-(4-oxo-1,4,3-oxathiazinan-3-yl)benzamide;methoxymethane
CID 144621624
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
CID 118463107

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide (CID 144621769) is N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2nccc3occc23)c1)c1ccc(N2CCCS2=O)cc1.
What is the InChIKey of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is DSXGFEMOQPVZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c24-20-7-4-16(14-19(20)22-18-9-12-30-21(18)8-10-25-22)26-23(28)15-2-5-17(6-3-15)27-11-1-13-31(27)29/h2-10,12,14H,1,11,13H2,(H,26,28).
What are the key properties of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 451.94 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 144621769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).