3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

C27H24Cl2N2O5S — CID 23798945

IUPAC3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(c1cccs1)C1C(c2ccc(Cl)cc2)C(C(=O)O)N(C(=O)N2CCOCC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C27H24Cl2N2O5S/c28-18-7-3-16(4-8-18)21-22(25(32)20-2-1-15-37-20)23(17-5-9-19(29)10-6-17)31(24(21)26(33)34)27(35)30-11-13-36-14-12-30/h1-10,15,21-24H,11-14H2,(H,33,34)
InChIKeyHZMJTGYKGGGEIM-UHFFFAOYSA-N
MW559.47 g/mol
LogP5.60
Rot. Bonds5

About 3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 23798945) has the molecular formula C27H24Cl2N2O5S and a molecular weight of 559.47 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID23798945
Molecular FormulaC27H24Cl2N2O5S
Molecular Weight559.47 g/mol
Exact Mass558.08
IUPAC Name3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(c1cccs1)C1C(c2ccc(Cl)cc2)C(C(=O)O)N(C(=O)N2CCOCC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C27H24Cl2N2O5S/c28-18-7-3-16(4-8-18)21-22(25(32)20-2-1-15-37-20)23(17-5-9-19(29)10-6-17)31(24(21)26(33)34)27(35)30-11-13-36-14-12-30/h1-10,15,21-24H,11-14H2,(H,33,34)
InChIKeyHZMJTGYKGGGEIM-UHFFFAOYSA-N
XLogP5.60
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.47
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid 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

3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23989745
5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 23989660
1-benzoyl-3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 23763375
3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-[(3-methylphenyl)carbamoyl]-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 23851571
3-(4-chlorophenyl)-1-(2-methoxyacetyl)-5-(3-methylthiophen-2-yl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 23791597
[1-(morpholine-4-carbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394387
3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23940233
3-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-5-(2-phenylethenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 23848286
3-(4-chlorophenyl)-1-N,5-diphenyl-2-N-prop-2-enyl-4-(thiophene-2-carbonyl)pyrrolidine-1,2-dicarboxamide
CID 23854921
5-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
CID 4756263
1-benzoyl-5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-chlorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23847205
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(4-chlorophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 23735593

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 23798945) is 3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(c1cccs1)C1C(c2ccc(Cl)cc2)C(C(=O)O)N(C(=O)N2CCOCC2)C1c1ccc(Cl)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HZMJTGYKGGGEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N2O5S/c28-18-7-3-16(4-8-18)21-22(25(32)20-2-1-15-37-20)23(17-5-9-19(29)10-6-17)31(24(21)26(33)34)27(35)30-11-13-36-14-12-30/h1-10,15,21-24H,11-14H2,(H,33,34).
What are the key properties of 3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 559.47 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23798945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).