1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C17H18ClN3O2S — CID 3219804

IUPAC1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2S/c18-12-4-1-5-13(10-12)20-17(23)21-8-2-7-15(21)16(22)19-11-14-6-3-9-24-14/h1,3-6,9-10,15H,2,7-8,11H2,(H,19,22)(H,20,23)
InChIKeyWVSOKCAQOAEJAL-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.71
Rot. Bonds4

About 1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219804) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219804
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2S/c18-12-4-1-5-13(10-12)20-17(23)21-8-2-7-15(21)16(22)19-11-14-6-3-9-24-14/h1,3-6,9-10,15H,2,7-8,11H2,(H,19,22)(H,20,23)
InChIKeyWVSOKCAQOAEJAL-UHFFFAOYSA-N
XLogP3.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide 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

N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 4882299
1-(4-Chlorophenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 2882225
1-(4-(5-(Aminomethyl)thiophen-2-yl)cyclohex-3-enyl)-3-(3-chloro-4-fluorophenyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 11719877
Pyrrolidine-1,2-dicarboxylic acid 1-phenylamide 2-[(thiophen-2-ylmethyl)-amide]
CID 649454
N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-phenyl-N-(2-thienylmethyl)urea
CID 2958227
1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3230247
1-(3-Chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 3639895
N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 4596210
3-(3-Chloro-4-fluorophenyl)-1-(4-(5-methylthiophen-2-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 44424267
1-(3-Chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea
CID 2808135
Pyrrolidine-1,2-dicarboxylic acid 2-[(thiophen-2-ylmethyl)-amide] 1-p-tolylamide
CID 3219699
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 25695340

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3219804) is 1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCc1cccs1)C1CCCN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is WVSOKCAQOAEJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c18-12-4-1-5-13(10-12)20-17(23)21-8-2-7-15(21)16(22)19-11-14-6-3-9-24-14/h1,3-6,9-10,15H,2,7-8,11H2,(H,19,22)(H,20,23).
What are the key properties of 1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).