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

C13H14N2O2S — CID 3591105

IUPAC4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C13H14N2O2S/c1-2-12(16)9-6-11(14-7-9)13(17)15-8-10-4-3-5-18-10/h3-7,14H,2,8H2,1H3,(H,15,17)
InChIKeyWKGLVVYVSZOONH-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.60
Rot. Bonds5

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

4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 3591105) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID3591105
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C13H14N2O2S/c1-2-12(16)9-6-11(14-7-9)13(17)15-8-10-4-3-5-18-10/h3-7,14H,2,8H2,1H3,(H,15,17)
InChIKeyWKGLVVYVSZOONH-UHFFFAOYSA-N
XLogP2.60
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrolopyridine, 13
CID 16719973
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
CID 1489239
N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
CID 1481809
4-propionyl-N-(3-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 4681816
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(thiophen-2-yl)nicotinamide
CID 46900403
4-[4-(tert-butyl)benzoyl]-N-(2-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 1485098
4-(2,6-dichlorobenzoyl)-N-(2-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 1491157
2-(2-benzoyl-1H-pyrrol-1-yl)-N-(thien-2-ylmethyl)acetamide
CID 3239359
4-butyryl-N-[2-(2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide
CID 3359425
2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 3547608
4-(3-methylbutanoyl)-N-(2-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 3766982
2-(1H-indol-3-yl)-2-oxo-N-(thiophen-3-ylmethyl)acetamide
CID 11572768

Frequently Asked Questions

What is the IUPAC name of 4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 3591105) is 4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide is CCC(=O)c1c[nH]c(C(=O)NCc2cccs2)c1.
What is the InChIKey of 4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WKGLVVYVSZOONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-12(16)9-6-11(14-7-9)13(17)15-8-10-4-3-5-18-10/h3-7,14H,2,8H2,1H3,(H,15,17).
What are the key properties of 4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3591105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).