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

C23H23N3O3S — CID 8747521

IUPAC(3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)n2)cc1
InChIInChI=1S/C23H23N3O3S/c1-15-3-5-16(6-4-15)12-26-13-18(11-21(26)27)22(28)25-23-24-20(14-30-23)17-7-9-19(29-2)10-8-17/h3-10,14,18H,11-13H2,1-2H3,(H,24,25,28)/t18-/m1/s1
InChIKeyUQDIAYYDQVBDJL-GOSISDBHSA-N
MW421.52 g/mol
LogP4.11
Rot. Bonds6

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

(3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 8747521) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is (3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID8747521
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name(3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)n2)cc1
InChIInChI=1S/C23H23N3O3S/c1-15-3-5-16(6-4-15)12-26-13-18(11-21(26)27)22(28)25-23-24-20(14-30-23)17-7-9-19(29-2)10-8-17/h3-10,14,18H,11-13H2,1-2H3,(H,24,25,28)/t18-/m1/s1
InChIKeyUQDIAYYDQVBDJL-GOSISDBHSA-N
XLogP4.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylphenyl)methyl]-5-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 16550159
1-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4880978
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472
1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16547907
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
1-ethyl-5-oxo-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 60604654
1-benzyl-5-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 16550193
(3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9398778
1-benzyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 108761239
(3S)-1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 26362758
1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 108747681

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 8747521) is (3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)n2)cc1.
What is the InChIKey of (3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UQDIAYYDQVBDJL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-15-3-5-16(6-4-15)12-26-13-18(11-21(26)27)22(28)25-23-24-20(14-30-23)17-7-9-19(29-2)10-8-17/h3-10,14,18H,11-13H2,1-2H3,(H,24,25,28)/t18-/m1/s1.
What are the key properties of (3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8747521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).