N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C17H15N3O3S — CID 18289205

IUPACN-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1
InChIInChI=1S/C17H15N3O3S/c18-12-13-5-7-15(8-6-13)19-17(21)14-3-1-4-16(11-14)20-9-2-10-24(20,22)23/h1,3-8,11H,2,9-10H2,(H,19,21)
InChIKeyYFPYJUOXIYXRDZ-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.35
Rot. Bonds3

About N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 18289205) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID18289205
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1
InChIInChI=1S/C17H15N3O3S/c18-12-13-5-7-15(8-6-13)19-17(21)14-3-1-4-16(11-14)20-9-2-10-24(20,22)23/h1,3-8,11H,2,9-10H2,(H,19,21)
InChIKeyYFPYJUOXIYXRDZ-UHFFFAOYSA-N
XLogP2.35
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 41492455
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
CID 46475375
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18138639
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 55612620
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 18289205) is N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is N#Cc1ccc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is YFPYJUOXIYXRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c18-12-13-5-7-15(8-6-13)19-17(21)14-3-1-4-16(11-14)20-9-2-10-24(20,22)23/h1,3-8,11H,2,9-10H2,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 341.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 18289205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).