N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C19H22N2O2S — CID 86951558

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(C)n(Cc3cccs3)c2C)c(C)o1
InChIInChI=1S/C19H22N2O2S/c1-12-8-18(14(3)21(12)11-17-6-5-7-24-17)19(22)20-10-16-9-13(2)23-15(16)4/h5-9H,10-11H2,1-4H3,(H,20,22)
InChIKeyCPXWOVQPYBRPDO-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.35
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 86951558) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID86951558
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(C)n(Cc3cccs3)c2C)c(C)o1
InChIInChI=1S/C19H22N2O2S/c1-12-8-18(14(3)21(12)11-17-6-5-7-24-17)19(22)20-10-16-9-13(2)23-15(16)4/h5-9H,10-11H2,1-4H3,(H,20,22)
InChIKeyCPXWOVQPYBRPDO-UHFFFAOYSA-N
XLogP4.35
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 78805100
2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 166201437
N-(3-hydroxybutyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 111428991
2,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 142228295
N-(3-butoxypropyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134031591
N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide
CID 78806087
N-(2-cyclopentylethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55564357
N-(1-adamantyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55381187
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 8960142
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 17446637
N-[2-(ethoxymethyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 86822596
N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 71873193

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 86951558) is N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(CNC(=O)c2cc(C)n(Cc3cccs3)c2C)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is CPXWOVQPYBRPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-12-8-18(14(3)21(12)11-17-6-5-7-24-17)19(22)20-10-16-9-13(2)23-15(16)4/h5-9H,10-11H2,1-4H3,(H,20,22).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 86951558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).