2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide

C18H26N2OS — CID 3769669

IUPAC2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide
SMILESCCCc1c(-c2cccs2)c(C(N)=O)c(C)n1CCC(C)C
InChIInChI=1S/C18H26N2OS/c1-5-7-14-17(15-8-6-11-22-15)16(18(19)21)13(4)20(14)10-9-12(2)3/h6,8,11-12H,5,7,9-10H2,1-4H3,(H2,19,21)
InChIKeyKYWWTWHISBJJRJ-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.62
Rot. Bonds7

About 2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide

2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide (PubChem CID 3769669) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide
PubChem CID3769669
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide
SMILESCCCc1c(-c2cccs2)c(C(N)=O)c(C)n1CCC(C)C
InChIInChI=1S/C18H26N2OS/c1-5-7-14-17(15-8-6-11-22-15)16(18(19)21)13(4)20(14)10-9-12(2)3/h6,8,11-12H,5,7,9-10H2,1-4H3,(H2,19,21)
InChIKeyKYWWTWHISBJJRJ-UHFFFAOYSA-N
XLogP4.62
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-2-methyl-1-(3-methylbutyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 3817588
2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3863344
5-butyl-1-[(3,4-difluorophenyl)methyl]-2-methyl-4-thiophen-2-ylpyrrole-3-carboxamide
CID 3459662
methyl 3-(1-benzyl-4-carbamoyl-5-methyl-3-thiophen-2-ylpyrrol-2-yl)propanoate
CID 5172537
5-butyl-4-(4-methoxy-3-methylphenyl)-2-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide
CID 3608133
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3756089
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 3505110
methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate
CID 3578013
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
CID 3746110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide (CID 3769669) is 2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide is CCCc1c(-c2cccs2)c(C(N)=O)c(C)n1CCC(C)C.
What is the InChIKey of 2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide?
The InChIKey is KYWWTWHISBJJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-5-7-14-17(15-8-6-11-22-15)16(18(19)21)13(4)20(14)10-9-12(2)3/h6,8,11-12H,5,7,9-10H2,1-4H3,(H2,19,21).
What are the key properties of 2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide?
2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide has a molecular weight of 318.49 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3769669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).