1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

C18H20N4O4S — CID 42654346

IUPAC1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC(=O)Nc3nc(C)cs3)CC2=O)cc1
InChIInChI=1S/C18H20N4O4S/c1-11-10-27-18(20-11)21-15(23)8-19-17(25)12-7-16(24)22(9-12)13-3-5-14(26-2)6-4-13/h3-6,10,12H,7-9H2,1-2H3,(H,19,25)(H,20,21,23)
InChIKeyIECWVUIJURUMFM-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.57
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42654346) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42654346
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC(=O)Nc3nc(C)cs3)CC2=O)cc1
InChIInChI=1S/C18H20N4O4S/c1-11-10-27-18(20-11)21-15(23)8-19-17(25)12-7-16(24)22(9-12)13-3-5-14(26-2)6-4-13/h3-6,10,12H,7-9H2,1-2H3,(H,19,25)(H,20,21,23)
InChIKeyIECWVUIJURUMFM-UHFFFAOYSA-N
XLogP1.57
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 39041149
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
CID 39342192
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 17309359
1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide
CID 42654766
(3S)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29131530
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
1-(3,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497645
(3R)-N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39341475
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94843087
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6493237
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
(3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39337801

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (CID 42654346) is 1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCC(=O)Nc3nc(C)cs3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IECWVUIJURUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-11-10-27-18(20-11)21-15(23)8-19-17(25)12-7-16(24)22(9-12)13-3-5-14(26-2)6-4-13/h3-6,10,12H,7-9H2,1-2H3,(H,19,25)(H,20,21,23).
What are the key properties of 1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42654346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).