5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide

C17H24N2OS — CID 3747326

IUPAC5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1C(C)C(C)C
InChIInChI=1S/C17H24N2OS/c1-6-14-16(13-7-8-21-9-13)15(17(18)20)12(5)19(14)11(4)10(2)3/h7-11H,6H2,1-5H3,(H2,18,20)
InChIKeyQYZMUHQTLJUWDN-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.40
Rot. Bonds5

About 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide

5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide (PubChem CID 3747326) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide
PubChem CID3747326
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1C(C)C(C)C
InChIInChI=1S/C17H24N2OS/c1-6-14-16(13-7-8-21-9-13)15(17(18)20)12(5)19(14)11(4)10(2)3/h7-11H,6H2,1-5H3,(H2,18,20)
InChIKeyQYZMUHQTLJUWDN-UHFFFAOYSA-N
XLogP4.40
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide (CID 3747326) is 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide is CCc1c(-c2ccsc2)c(C(N)=O)c(C)n1C(C)C(C)C.
What is the InChIKey of 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide?
The InChIKey is QYZMUHQTLJUWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-6-14-16(13-7-8-21-9-13)15(17(18)20)12(5)19(14)11(4)10(2)3/h7-11H,6H2,1-5H3,(H2,18,20).
What are the key properties of 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide?
5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1-(3-methylbutan-2-yl)-4-thiophen-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3747326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).