N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide

C12H14N2OS — CID 56876010

IUPACN-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1ccc[nH]1)c1cccs1
InChIInChI=1S/C12H14N2OS/c1-2-9(11-6-4-8-16-11)14-12(15)10-5-3-7-13-10/h3-9,13H,2H2,1H3,(H,14,15)
InChIKeyWAQZPOFPSHCWJE-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.96
Rot. Bonds4

About N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide

N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 56876010) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID56876010
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1ccc[nH]1)c1cccs1
InChIInChI=1S/C12H14N2OS/c1-2-9(11-6-4-8-16-11)14-12(15)10-5-3-7-13-10/h3-9,13H,2H2,1H3,(H,14,15)
InChIKeyWAQZPOFPSHCWJE-UHFFFAOYSA-N
XLogP2.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide
CID 107261861
N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
CID 131945847
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide
CID 63118272
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343
N-(cyanomethyl)-N'-(1-thiophen-2-ylpropyl)oxamide
CID 54964386
4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55034284
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide (CID 56876010) is N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide is CCC(NC(=O)c1ccc[nH]1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WAQZPOFPSHCWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-9(11-6-4-8-16-11)14-12(15)10-5-3-7-13-10/h3-9,13H,2H2,1H3,(H,14,15).
What are the key properties of N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide?
N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 56876010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).