1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide

C18H20N4O4S — CID 42654766

IUPAC1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCCC(=O)Nc3nccs3)CC2=O)cc1
InChIInChI=1S/C18H20N4O4S/c1-26-14-4-2-13(3-5-14)22-11-12(10-16(22)24)17(25)19-7-6-15(23)21-18-20-8-9-27-18/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,19,25)(H,20,21,23)
InChIKeyODQDNSOJBRXVRL-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.65
Rot. Bonds7

About 1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide (PubChem CID 42654766) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide
PubChem CID42654766
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCCC(=O)Nc3nccs3)CC2=O)cc1
InChIInChI=1S/C18H20N4O4S/c1-26-14-4-2-13(3-5-14)22-11-12(10-16(22)24)17(25)19-7-6-15(23)21-18-20-8-9-27-18/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,19,25)(H,20,21,23)
InChIKeyODQDNSOJBRXVRL-UHFFFAOYSA-N
XLogP1.65
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 42655612
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
(3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95579738
(3R)-1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 39041149
1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 42654346
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42654268
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide
CID 29134927
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 39038553

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide (CID 42654766) is 1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCCC(=O)Nc3nccs3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide?
The InChIKey is ODQDNSOJBRXVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-26-14-4-2-13(3-5-14)22-11-12(10-16(22)24)17(25)19-7-6-15(23)21-18-20-8-9-27-18/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,19,25)(H,20,21,23).
What are the key properties of 1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42654766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).