2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide

C19H15N3O4S — CID 18592379

IUPAC2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)NCc1ccco1
InChIInChI=1S/C19H15N3O4S/c23-16(20-11-14-2-1-8-26-14)10-12-3-5-13(6-4-12)22-18(24)17-15(7-9-27-17)21-19(22)25/h1-9H,10-11H2,(H,20,23)(H,21,25)
InChIKeyMBFSHHFRMSXYFX-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.19
Rot. Bonds5

About 2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide

2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 18592379) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID18592379
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)NCc1ccco1
InChIInChI=1S/C19H15N3O4S/c23-16(20-11-14-2-1-8-26-14)10-12-3-5-13(6-4-12)22-18(24)17-15(7-9-27-17)21-19(22)25/h1-9H,10-11H2,(H,20,23)(H,21,25)
InChIKeyMBFSHHFRMSXYFX-UHFFFAOYSA-N
XLogP2.19
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide
CID 4191578
N-(furan-2-ylmethyl)-2-[4-[1-[(4-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]acetamide
CID 22428267
2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 6619277
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 110343476
3-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 122174629
2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 50762678
2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4116003
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
2-[4-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 50762522
6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide
CID 4639143
3-(3,4-difluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 94675169

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide (CID 18592379) is 2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide is O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)NCc1ccco1.
What is the InChIKey of 2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is MBFSHHFRMSXYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c23-16(20-11-14-2-1-8-26-14)10-12-3-5-13(6-4-12)22-18(24)17-15(7-9-27-17)21-19(22)25/h1-9H,10-11H2,(H,20,23)(H,21,25).
What are the key properties of 2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide?
2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 381.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18592379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).