3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C35H34ClN3O5S — CID 23989745

IUPAC3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1C(c2ccc(Cl)cc2)C(C(=O)c2cccs2)C(c2ccccc2)N1C(=O)N1CCOCC1
InChIInChI=1S/C35H34ClN3O5S/c1-43-27-11-6-5-10-25(27)22-37-34(41)32-29(23-13-15-26(36)16-14-23)30(33(40)28-12-7-21-45-28)31(24-8-3-2-4-9-24)39(32)35(42)38-17-19-44-20-18-38/h2-16,21,29-32H,17-20,22H2,1H3,(H,37,41)
InChIKeyWHYGAXWLBBMLAD-UHFFFAOYSA-N
MW644.19 g/mol
LogP6.19
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 23989745) has the molecular formula C35H34ClN3O5S and a molecular weight of 644.19 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID23989745
Molecular FormulaC35H34ClN3O5S
Molecular Weight644.19 g/mol
Exact Mass643.19
IUPAC Name3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1C(c2ccc(Cl)cc2)C(C(=O)c2cccs2)C(c2ccccc2)N1C(=O)N1CCOCC1
InChIInChI=1S/C35H34ClN3O5S/c1-43-27-11-6-5-10-25(27)22-37-34(41)32-29(23-13-15-26(36)16-14-23)30(33(40)28-12-7-21-45-28)31(24-8-3-2-4-9-24)39(32)35(42)38-17-19-44-20-18-38/h2-16,21,29-32H,17-20,22H2,1H3,(H,37,41)
InChIKeyWHYGAXWLBBMLAD-UHFFFAOYSA-N
XLogP6.19
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.19
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 23989745) is 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is COc1ccccc1CNC(=O)C1C(c2ccc(Cl)cc2)C(C(=O)c2cccs2)C(c2ccccc2)N1C(=O)N1CCOCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is WHYGAXWLBBMLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34ClN3O5S/c1-43-27-11-6-5-10-25(27)22-37-34(41)32-29(23-13-15-26(36)16-14-23)30(33(40)28-12-7-21-45-28)31(24-8-3-2-4-9-24)39(32)35(42)38-17-19-44-20-18-38/h2-16,21,29-32H,17-20,22H2,1H3,(H,37,41).
What are the key properties of 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 644.19 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(morpholine-4-carbonyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 23989745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).