4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide

C14H16N2O2S — CID 3692404

IUPAC4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCCC(=O)c1c[nH]c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C14H16N2O2S/c1-2-4-13(17)10-7-12(15-8-10)14(18)16-9-11-5-3-6-19-11/h3,5-8,15H,2,4,9H2,1H3,(H,16,18)
InChIKeyGSNIAQOFLNKUBO-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.99
Rot. Bonds6

About 4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 3692404) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID3692404
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCCC(=O)c1c[nH]c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C14H16N2O2S/c1-2-4-13(17)10-7-12(15-8-10)14(18)16-9-11-5-3-6-19-11/h3,5-8,15H,2,4,9H2,1H3,(H,16,18)
InChIKeyGSNIAQOFLNKUBO-UHFFFAOYSA-N
XLogP2.99
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 1491157
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 63187631

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 3692404) is 4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide is CCCC(=O)c1c[nH]c(C(=O)NCc2cccs2)c1.
What is the InChIKey of 4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is GSNIAQOFLNKUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-4-13(17)10-7-12(15-8-10)14(18)16-9-11-5-3-6-19-11/h3,5-8,15H,2,4,9H2,1H3,(H,16,18).
What are the key properties of 4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3692404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).