[2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone

C14H9NO3S — CID 141137269

IUPAC[2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cc[nH]c1C(=O)c1ccco1
InChIInChI=1S/C14H9NO3S/c16-13(11-4-2-8-19-11)9-5-6-15-12(9)14(17)10-3-1-7-18-10/h1-8,15H
InChIKeyUBFVGNIAJYVIJB-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.13
Rot. Bonds4

About [2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone

[2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone (PubChem CID 141137269) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is [2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone
PubChem CID141137269
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name[2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cc[nH]c1C(=O)c1ccco1
InChIInChI=1S/C14H9NO3S/c16-13(11-4-2-8-19-11)9-5-6-15-12(9)14(17)10-3-1-7-18-10/h1-8,15H
InChIKeyUBFVGNIAJYVIJB-UHFFFAOYSA-N
XLogP3.13
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxybenzoyl)-N-(2-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 1485201
4-(4-methoxybenzoyl)-N-(2-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 3533224
6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172437500
Furyl(thienyl)pyrrole
CID 129782024
2-[3-(furan-2-ylcarbonyl)-1H-indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 1091506
N-((2-(thiophen-2-yl)pyridin-4-yl)methyl)furan-2-carboxamide
CID 91630312
2-(Furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole
CID 10944238
2-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrole
CID 18788916
(4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone
CID 19914085
3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole
CID 54042875
5-(3-Pyridinyl)-N-(2-thienylmethyl)-2-furancarboxamide
CID 68656727
3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde
CID 91535445

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone (CID 141137269) is [2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1cc[nH]c1C(=O)c1ccco1.
What is the InChIKey of [2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone?
The InChIKey is UBFVGNIAJYVIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S/c16-13(11-4-2-8-19-11)9-5-6-15-12(9)14(17)10-3-1-7-18-10/h1-8,15H.
What are the key properties of [2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone?
[2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone has a molecular weight of 271.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-carbonyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 141137269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).