3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide

C17H15NO3S — CID 30138155

IUPAC3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccs1)c1occc1COc1ccccc1
InChIInChI=1S/C17H15NO3S/c19-17(18-11-15-7-4-10-22-15)16-13(8-9-20-16)12-21-14-5-2-1-3-6-14/h1-10H,11-12H2,(H,18,19)
InChIKeyYNHXJTIPHWLMPS-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.85
Rot. Bonds6

About 3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide

3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 30138155) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
PubChem CID30138155
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccs1)c1occc1COc1ccccc1
InChIInChI=1S/C17H15NO3S/c19-17(18-11-15-7-4-10-22-15)16-13(8-9-20-16)12-21-14-5-2-1-3-6-14/h1-10H,11-12H2,(H,18,19)
InChIKeyYNHXJTIPHWLMPS-UHFFFAOYSA-N
XLogP3.85
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 29370752
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29479487
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate
CID 42204645

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 30138155) is 3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide is O=C(NCc1cccs1)c1occc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The InChIKey is YNHXJTIPHWLMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-17(18-11-15-7-4-10-22-15)16-13(8-9-20-16)12-21-14-5-2-1-3-6-14/h1-10H,11-12H2,(H,18,19).
What are the key properties of 3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 30138155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).