5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide

C18H16N2O3S — CID 74250247

IUPAC5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)N(Cc2ccncc2)Cc2ccco2)cs1
InChIInChI=1S/C18H16N2O3S/c1-13(21)17-9-15(12-24-17)18(22)20(11-16-3-2-8-23-16)10-14-4-6-19-7-5-14/h2-9,12H,10-11H2,1H3
InChIKeyCBLGTIKNUONPTD-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.78
Rot. Bonds6

About 5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide

5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 74250247) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
PubChem CID74250247
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)N(Cc2ccncc2)Cc2ccco2)cs1
InChIInChI=1S/C18H16N2O3S/c1-13(21)17-9-15(12-24-17)18(22)20(11-16-3-2-8-23-16)10-14-4-6-19-7-5-14/h2-9,12H,10-11H2,1H3
InChIKeyCBLGTIKNUONPTD-UHFFFAOYSA-N
XLogP3.78
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 78843575
N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 8894977
N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 60542645
N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 31836707
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 18121711
3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60567345

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide (CID 74250247) is 5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide is CC(=O)c1cc(C(=O)N(Cc2ccncc2)Cc2ccco2)cs1.
What is the InChIKey of 5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is CBLGTIKNUONPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-13(21)17-9-15(12-24-17)18(22)20(11-16-3-2-8-23-16)10-14-4-6-19-7-5-14/h2-9,12H,10-11H2,1H3.
What are the key properties of 5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 74250247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).