4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide

C15H15N3O3S2 — CID 3243632

IUPAC4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1
InChIInChI=1S/C15H15N3O3S2/c19-12(16-9-10-3-2-7-22-10)4-1-6-18-14(20)13-11(5-8-23-13)17-15(18)21/h2-3,5,7-8H,1,4,6,9H2,(H,16,19)(H,17,21)
InChIKeyGOUOQRYVDWBIQR-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.91
Rot. Bonds6

About 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide

4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 3243632) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID3243632
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1
InChIInChI=1S/C15H15N3O3S2/c19-12(16-9-10-3-2-7-22-10)4-1-6-18-14(20)13-11(5-8-23-13)17-15(18)21/h2-3,5,7-8H,1,4,6,9H2,(H,16,19)(H,17,21)
InChIKeyGOUOQRYVDWBIQR-UHFFFAOYSA-N
XLogP1.91
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide with MolForge

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Related Compounds

N-Cyclopentyl-2-{3-ethyl-2,4-dioxothieno[3,2-D]pyrimidin-1-YL}acetamide
CID 6486186
5-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(3-methylbutyl)pentanamide
CID 16195422
6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-phenylhexanamide
CID 12004607
2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 1478348
3-(2-Hydroxyethyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 2732863
3-benzyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 2117383
5-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(tetrahydrofuran-2-ylmethyl)pentanamide
CID 3237043
N-cycloheptyl-2-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)acetamide
CID 3239877
3-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(4-fluorobenzyl)propanamide
CID 4582299
4-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(4-fluorophenyl)butanamide
CID 4583348
N-(2-Methylcyclohexyl)-4-{4-oxo-2-sulfanylidene-1H,2H,3H,4H-thieno[3,2-D]pyrimidin-3-YL}butanamide
CID 5192174
6-(2,4-diketo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-fluorobenzyl)hexanamide
CID 9551438

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 3243632) is 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide is O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1.
What is the InChIKey of 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is GOUOQRYVDWBIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c19-12(16-9-10-3-2-7-22-10)4-1-6-18-14(20)13-11(5-8-23-13)17-15(18)21/h2-3,5,7-8H,1,4,6,9H2,(H,16,19)(H,17,21).
What are the key properties of 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 349.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 3243632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).