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

C21H26N4O4S — CID 24646056

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2nc(CC(N)=O)cs2)C1c1ccc(OC)cc1
InChIInChI=1S/C21H26N4O4S/c1-3-4-9-25-18(27)11-16(19(25)13-5-7-15(29-2)8-6-13)20(28)24-21-23-14(12-30-21)10-17(22)26/h5-8,12,16,19H,3-4,9-11H2,1-2H3,(H2,22,26)(H,23,24,28)
InChIKeyJYPWELMUUQJECK-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.51
Rot. Bonds9

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

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24646056) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID24646056
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2nc(CC(N)=O)cs2)C1c1ccc(OC)cc1
InChIInChI=1S/C21H26N4O4S/c1-3-4-9-25-18(27)11-16(19(25)13-5-7-15(29-2)8-6-13)20(28)24-21-23-14(12-30-21)10-17(22)26/h5-8,12,16,19H,3-4,9-11H2,1-2H3,(H2,22,26)(H,23,24,28)
InChIKeyJYPWELMUUQJECK-UHFFFAOYSA-N
XLogP2.51
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 18164671
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982985
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982983
1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24641086
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 30476387
1-butyl-N-ethoxy-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43048037
1-butyl-N-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51180359
(2R,3S)-1-butyl-2-(4-methoxyphenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35892676
1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18224722
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 30864249
1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 134005728
N-(4-acetamido-3-chlorophenyl)-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24646739

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 24646056) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCN1C(=O)CC(C(=O)Nc2nc(CC(N)=O)cs2)C1c1ccc(OC)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JYPWELMUUQJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-3-4-9-25-18(27)11-16(19(25)13-5-7-15(29-2)8-6-13)20(28)24-21-23-14(12-30-21)10-17(22)26/h5-8,12,16,19H,3-4,9-11H2,1-2H3,(H2,22,26)(H,23,24,28).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24646056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).