2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C19H20N2OS — CID 2742289

IUPAC2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(C)n(Cc2cccs2)c1C
InChIInChI=1S/C19H20N2OS/c1-13-7-4-5-9-18(13)20-19(22)17-11-14(2)21(15(17)3)12-16-8-6-10-23-16/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyOVMXLCGFFGHJIR-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.78
Rot. Bonds4

About 2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 2742289) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID2742289
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(C)n(Cc2cccs2)c1C
InChIInChI=1S/C19H20N2OS/c1-13-7-4-5-9-18(13)20-19(22)17-11-14(2)21(15(17)3)12-16-8-6-10-23-16/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyOVMXLCGFFGHJIR-UHFFFAOYSA-N
XLogP4.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 2742289) is 2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is Cc1ccccc1NC(=O)c1cc(C)n(Cc2cccs2)c1C.
What is the InChIKey of 2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is OVMXLCGFFGHJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-13-7-4-5-9-18(13)20-19(22)17-11-14(2)21(15(17)3)12-16-8-6-10-23-16/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of 2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 2742289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).