5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide

C23H28N2OS — CID 3756089

IUPAC5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc(C)cc2)c(C(N)=O)c(C)n1CCc1cccs1
InChIInChI=1S/C23H28N2OS/c1-4-5-8-20-22(18-11-9-16(2)10-12-18)21(23(24)26)17(3)25(20)14-13-19-7-6-15-27-19/h6-7,9-12,15H,4-5,8,13-14H2,1-3H3,(H2,24,26)
InChIKeyWJDRMFNJEYRGFX-UHFFFAOYSA-N
MW380.56 g/mol
LogP5.52
Rot. Bonds8

About 5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide

5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide (PubChem CID 3756089) has the molecular formula C23H28N2OS and a molecular weight of 380.56 g/mol. Its IUPAC name is 5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
PubChem CID3756089
Molecular FormulaC23H28N2OS
Molecular Weight380.56 g/mol
Exact Mass380.19
IUPAC Name5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc(C)cc2)c(C(N)=O)c(C)n1CCc1cccs1
InChIInChI=1S/C23H28N2OS/c1-4-5-8-20-22(18-11-9-16(2)10-12-18)21(23(24)26)17(3)25(20)14-13-19-7-6-15-27-19/h6-7,9-12,15H,4-5,8,13-14H2,1-3H3,(H2,24,26)
InChIKeyWJDRMFNJEYRGFX-UHFFFAOYSA-N
XLogP5.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.56
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3795524
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3863344
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1,5-dibutyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3748147
5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide
CID 3766755
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3508421
1-benzyl-5-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3731786
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-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide (CID 3756089) is 5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide is CCCCc1c(-c2ccc(C)cc2)c(C(N)=O)c(C)n1CCc1cccs1.
What is the InChIKey of 5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The InChIKey is WJDRMFNJEYRGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2OS/c1-4-5-8-20-22(18-11-9-16(2)10-12-18)21(23(24)26)17(3)25(20)14-13-19-7-6-15-27-19/h6-7,9-12,15H,4-5,8,13-14H2,1-3H3,(H2,24,26).
What are the key properties of 5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide has a molecular weight of 380.56 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3756089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).