2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide

C20H22N2OS — CID 3508421

IUPAC2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
SMILESCc1ccccc1-c1c(C(N)=O)c(C)n(CCc2cccs2)c1C
InChIInChI=1S/C20H22N2OS/c1-13-7-4-5-9-17(13)18-14(2)22(15(3)19(18)20(21)23)11-10-16-8-6-12-24-16/h4-9,12H,10-11H2,1-3H3,(H2,21,23)
InChIKeyBUNXERABEXPRJJ-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.48
Rot. Bonds5

About 2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide

2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide (PubChem CID 3508421) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
PubChem CID3508421
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
SMILESCc1ccccc1-c1c(C(N)=O)c(C)n(CCc2cccs2)c1C
InChIInChI=1S/C20H22N2OS/c1-13-7-4-5-9-17(13)18-14(2)22(15(3)19(18)20(21)23)11-10-16-8-6-12-24-16/h4-9,12H,10-11H2,1-3H3,(H2,21,23)
InChIKeyBUNXERABEXPRJJ-UHFFFAOYSA-N
XLogP4.48
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3863344
4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3842976
5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3795524
5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3756089
methyl 3-[4-carbamoyl-5-methyl-3-(3-phenoxyphenyl)-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate
CID 3574299
1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 3505110
1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 3858610
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
diethyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3,4-dicarboxylate
CID 170871938
5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid
CID 63775016
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3729915
4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3857314

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide (CID 3508421) is 2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide is Cc1ccccc1-c1c(C(N)=O)c(C)n(CCc2cccs2)c1C.
What is the InChIKey of 2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The InChIKey is BUNXERABEXPRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-13-7-4-5-9-17(13)18-14(2)22(15(3)19(18)20(21)23)11-10-16-8-6-12-24-16/h4-9,12H,10-11H2,1-3H3,(H2,21,23).
What are the key properties of 2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3508421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).