N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C16H19N3O3S — CID 17423799

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H19N3O3S/c20-14(6-8-18-9-10-23-16(18)22)17-12-3-1-4-13(11-12)19-7-2-5-15(19)21/h1,3-4,11H,2,5-10H2,(H,17,20)
InChIKeyYYHKPOWGLKHKOC-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.31
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 17423799) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID17423799
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H19N3O3S/c20-14(6-8-18-9-10-23-16(18)22)17-12-3-1-4-13(11-12)19-7-2-5-15(19)21/h1,3-4,11H,2,5-10H2,(H,17,20)
InChIKeyYYHKPOWGLKHKOC-UHFFFAOYSA-N
XLogP2.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821
N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17487300
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
CID 32756509
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18119409
N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9245152
N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 17487273
N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 122149972
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17449983
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414
N-[3-(2-oxopiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806485
3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 17423799) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is YYHKPOWGLKHKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-14(6-8-18-9-10-23-16(18)22)17-12-3-1-4-13(11-12)19-7-2-5-15(19)21/h1,3-4,11H,2,5-10H2,(H,17,20).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 333.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 17423799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).