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

C18H21N3O2S — CID 3230197

IUPAC1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)NCc2cccs2)c1
InChIInChI=1S/C18H21N3O2S/c1-13-5-2-6-14(11-13)20-18(23)21-9-3-8-16(21)17(22)19-12-15-7-4-10-24-15/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyYVWDORXBPQHLJU-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.37
Rot. Bonds4

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

1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230197) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230197
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)NCc2cccs2)c1
InChIInChI=1S/C18H21N3O2S/c1-13-5-2-6-14(11-13)20-18(23)21-9-3-8-16(21)17(22)19-12-15-7-4-10-24-15/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyYVWDORXBPQHLJU-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(3-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3230197) is 1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is Cc1cccc(NC(=O)N2CCCC2C(=O)NCc2cccs2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is YVWDORXBPQHLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13-5-2-6-14(11-13)20-18(23)21-9-3-8-16(21)17(22)19-12-15-7-4-10-24-15/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).