(2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide

C23H22ClN3O3S — CID 50829069

IUPAC(2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)[C@H]1CCCN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN3O3S/c24-17-8-10-19(11-9-17)30-14-21(28)27-12-4-7-20(27)22(29)25-13-18-15-31-23(26-18)16-5-2-1-3-6-16/h1-3,5-6,8-11,15,20H,4,7,12-14H2,(H,25,29)/t20-/m1/s1
InChIKeyPGSFAWWXTVSVRZ-HXUWFJFHSA-N
MW455.97 g/mol
LogP4.15
Rot. Bonds7

About (2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide

(2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 50829069) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is (2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID50829069
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name(2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)[C@H]1CCCN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN3O3S/c24-17-8-10-19(11-9-17)30-14-21(28)27-12-4-7-20(27)22(29)25-13-18-15-31-23(26-18)16-5-2-1-3-6-16/h1-3,5-6,8-11,15,20H,4,7,12-14H2,(H,25,29)/t20-/m1/s1
InChIKeyPGSFAWWXTVSVRZ-HXUWFJFHSA-N
XLogP4.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-chlorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554503
(2R)-1-(3-phenylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 50831558
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
(2R)-1-[2-(4-chlorophenyl)acetyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 20973336
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600493
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
N-cyclopropyl-1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 86927918
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 119175967
1-(4-ethoxyphenyl)sulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554424
1-[2-(4-chlorophenoxy)acetyl]pyrrolidine-2-carbaldehyde
CID 82023446

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 50829069) is (2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1csc(-c2ccccc2)n1)[C@H]1CCCN1C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is PGSFAWWXTVSVRZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c24-17-8-10-19(11-9-17)30-14-21(28)27-12-4-7-20(27)22(29)25-13-18-15-31-23(26-18)16-5-2-1-3-6-16/h1-3,5-6,8-11,15,20H,4,7,12-14H2,(H,25,29)/t20-/m1/s1.
What are the key properties of (2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
(2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 455.97 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-chlorophenoxy)acetyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 50829069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).