2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide

C12H14N2OS — CID 3239942

IUPAC2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)n1cccc1
InChIInChI=1S/C12H14N2OS/c1-10(14-6-2-3-7-14)12(15)13-9-11-5-4-8-16-11/h2-8,10H,9H2,1H3,(H,13,15)
InChIKeyAVXRCELVPJXERS-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.43
Rot. Bonds4

About 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide

2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 3239942) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID3239942
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)n1cccc1
InChIInChI=1S/C12H14N2OS/c1-10(14-6-2-3-7-14)12(15)13-9-11-5-4-8-16-11/h2-8,10H,9H2,1H3,(H,13,15)
InChIKeyAVXRCELVPJXERS-UHFFFAOYSA-N
XLogP2.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyclohexyl-2-[cyclopropyl-(2-thiophen-2-yl-acetyl)-amino]-2-(1-methyl-1H-pyrrol-2-yl)-acetamide
CID 645756
N-[3-(methylthio)phenyl]-2-(1H-pyrrol-1-yl)acetamide
CID 3239705
N-[[5-(hydroxycarbamoyl)thiophen-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 73333212
2-(1H-pyrrol-1-yl)-N-(thien-2-ylmethyl)acetamide
CID 3240250
N-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide
CID 3694864
2-methyl-5-oxo-N~2~-(3-pyridylmethyl)-1-(2-thienylmethyl)-2-pyrrolidinecarboxamide
CID 4108861
N-cyclopropyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide
CID 4316567
3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
CID 5307384
N-[(E)-1-[2-(diethylamino)ethylcarbamoyl]-2-(1-methylpyrrol-2-yl)vinyl]thiophene-2-carboxamide
CID 5771244
Thiophene-2-carboxylic acid [1-(3-diethylamino-propylcarbamoyl)-2-(1-methyl-1H-pyrrol-2-yl)-vinyl]-amide
CID 5771246
N-[(E)-3-(3-methoxypropylamino)-1-(1-methylpyrrol-2-yl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 5771248
4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 19656592

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide (CID 3239942) is 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide is CC(C(=O)NCc1cccs1)n1cccc1.
What is the InChIKey of 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is AVXRCELVPJXERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-10(14-6-2-3-7-14)12(15)13-9-11-5-4-8-16-11/h2-8,10H,9H2,1H3,(H,13,15).
What are the key properties of 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 234.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 3239942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).