2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C15H13N3O3S — CID 121090531

IUPAC2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)NCc1cccs1
InChIInChI=1S/C15H13N3O3S/c19-14(16-8-11-3-2-6-22-11)9-18-10-17-12(7-15(18)20)13-4-1-5-21-13/h1-7,10H,8-9H2,(H,16,19)
InChIKeyYAOFRTXYDUIORQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.88
Rot. Bonds5

About 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 121090531) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID121090531
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)NCc1cccs1
InChIInChI=1S/C15H13N3O3S/c19-14(16-8-11-3-2-6-22-11)9-18-10-17-12(7-15(18)20)13-4-1-5-21-13/h1-7,10H,8-9H2,(H,16,19)
InChIKeyYAOFRTXYDUIORQ-UHFFFAOYSA-N
XLogP1.88
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090714
2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 53172422
N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090675
N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
CID 121090735
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121090748
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121090616
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090557
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090685
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 121090719

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 121090531) is 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cnc(-c2ccco2)cc1=O)NCc1cccs1.
What is the InChIKey of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YAOFRTXYDUIORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-14(16-8-11-3-2-6-22-11)9-18-10-17-12(7-15(18)20)13-4-1-5-21-13/h1-7,10H,8-9H2,(H,16,19).
What are the key properties of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 315.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 121090531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).