1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide

C22H21N3O3S — CID 55663749

IUPAC1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3nc(-c4ccccc4)cs3)CC2=O)cc1
InChIInChI=1S/C22H21N3O3S/c1-28-18-9-7-17(8-10-18)25-13-16(11-21(25)26)22(27)23-12-20-24-19(14-29-20)15-5-3-2-4-6-15/h2-10,14,16H,11-13H2,1H3,(H,23,27)
InChIKeyGHTTYSLGFZEYGC-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.49
Rot. Bonds6

About 1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 55663749) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID55663749
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3nc(-c4ccccc4)cs3)CC2=O)cc1
InChIInChI=1S/C22H21N3O3S/c1-28-18-9-7-17(8-10-18)25-13-16(11-21(25)26)22(27)23-12-20-24-19(14-29-20)15-5-3-2-4-6-15/h2-10,14,16H,11-13H2,1H3,(H,23,27)
InChIKeyGHTTYSLGFZEYGC-UHFFFAOYSA-N
XLogP3.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 56586252
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-(3-methoxyphenyl)-5-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxamide
CID 122261972
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
CID 7626515
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134023238
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
1-(4-methoxyphenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108748058
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244731
(3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51596528
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 124760136

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide (CID 55663749) is 1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCc3nc(-c4ccccc4)cs3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is GHTTYSLGFZEYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-28-18-9-7-17(8-10-18)25-13-16(11-21(25)26)22(27)23-12-20-24-19(14-29-20)15-5-3-2-4-6-15/h2-10,14,16H,11-13H2,1H3,(H,23,27).
What are the key properties of 1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55663749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).