5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide

C26H26N2OS — CID 3795524

IUPAC5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1CCc1cccs1
InChIInChI=1S/C26H26N2OS/c1-3-23-25(21-13-11-20(12-14-21)19-8-5-4-6-9-19)24(26(27)29)18(2)28(23)16-15-22-10-7-17-30-22/h4-14,17H,3,15-16H2,1-2H3,(H2,27,29)
InChIKeyZPCOKDZGPJUXFY-UHFFFAOYSA-N
MW414.57 g/mol
LogP6.10
Rot. Bonds7

About 5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide

5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide (PubChem CID 3795524) has the molecular formula C26H26N2OS and a molecular weight of 414.57 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
PubChem CID3795524
Molecular FormulaC26H26N2OS
Molecular Weight414.57 g/mol
Exact Mass414.18
IUPAC Name5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1CCc1cccs1
InChIInChI=1S/C26H26N2OS/c1-3-23-25(21-13-11-20(12-14-21)19-8-5-4-6-9-19)24(26(27)29)18(2)28(23)16-15-22-10-7-17-30-22/h4-14,17H,3,15-16H2,1-2H3,(H2,27,29)
InChIKeyZPCOKDZGPJUXFY-UHFFFAOYSA-N
XLogP6.10
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3756089
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3863344
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
methyl 3-[4-carbamoyl-5-methyl-3-(3-phenoxyphenyl)-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate
CID 3574299
2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3508421
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3842976
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide (CID 3795524) is 5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide is CCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1CCc1cccs1.
What is the InChIKey of 5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The InChIKey is ZPCOKDZGPJUXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2OS/c1-3-23-25(21-13-11-20(12-14-21)19-8-5-4-6-9-19)24(26(27)29)18(2)28(23)16-15-22-10-7-17-30-22/h4-14,17H,3,15-16H2,1-2H3,(H2,27,29).
What are the key properties of 5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3795524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).