N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

C20H17N3O3S — CID 7518792

IUPACN-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1c(-c2ccccc2)sc2ncn(CC(=O)NCc3ccco3)c(=O)c12
InChIInChI=1S/C20H17N3O3S/c1-13-17-19(27-18(13)14-6-3-2-4-7-14)22-12-23(20(17)25)11-16(24)21-10-15-8-5-9-26-15/h2-9,12H,10-11H2,1H3,(H,21,24)
InChIKeyBPAGDZHJNOUJNT-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.34
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 7518792) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID7518792
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1c(-c2ccccc2)sc2ncn(CC(=O)NCc3ccco3)c(=O)c12
InChIInChI=1S/C20H17N3O3S/c1-13-17-19(27-18(13)14-6-3-2-4-7-14)22-12-23(20(17)25)11-16(24)21-10-15-8-5-9-26-15/h2-9,12H,10-11H2,1H3,(H,21,24)
InChIKeyBPAGDZHJNOUJNT-UHFFFAOYSA-N
XLogP3.34
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 17442147
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 53023985
N-(4-bromophenyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27540162
N-(butylcarbamoyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24500039
N-[2-(3-methylbutoxy)ethyl]-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55882547
N-(2,5-dimethylpyrazol-3-yl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51288176
2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 24500038
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7905077
5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 32925031
N-(2-cyano-3-methylbutan-2-yl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51196300
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 16575647
2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 27540196

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 7518792) is N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1c(-c2ccccc2)sc2ncn(CC(=O)NCc3ccco3)c(=O)c12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is BPAGDZHJNOUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-13-17-19(27-18(13)14-6-3-2-4-7-14)22-12-23(20(17)25)11-16(24)21-10-15-8-5-9-26-15/h2-9,12H,10-11H2,1H3,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 7518792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).