3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C20H21N3O4S — CID 18138639

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C20H21N3O4S/c24-19-9-3-10-22(19)17-7-2-6-16(14-17)21-20(25)15-5-1-8-18(13-15)23-11-4-12-28(23,26)27/h1-2,5-8,13-14H,3-4,9-12H2,(H,21,25)
InChIKeyYEXHAVAQSPMVFP-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.61
Rot. Bonds4

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 18138639) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID18138639
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C20H21N3O4S/c24-19-9-3-10-22(19)17-7-2-6-16(14-17)21-20(25)15-5-1-8-18(13-15)23-11-4-12-28(23,26)27/h1-2,5-8,13-14H,3-4,9-12H2,(H,21,25)
InChIKeyYEXHAVAQSPMVFP-UHFFFAOYSA-N
XLogP2.61
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 41492455
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 55612620
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7638785

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 18138639) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is YEXHAVAQSPMVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-19-9-3-10-22(19)17-7-2-6-16(14-17)21-20(25)15-5-1-8-18(13-15)23-11-4-12-28(23,26)27/h1-2,5-8,13-14H,3-4,9-12H2,(H,21,25).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 399.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 18138639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).