N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide

C15H11F2N3O3S — CID 11957253

IUPACN-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N3O3S/c16-9-2-1-8(7-10(9)17)18-12(21)3-5-20-14(22)13-11(4-6-24-13)19-15(20)23/h1-2,4,6-7H,3,5H2,(H,18,21)(H,19,23)
InChIKeyIRJFAALAXSAYQH-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.06
Rot. Bonds4

About N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide

N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide (PubChem CID 11957253) has the molecular formula C15H11F2N3O3S and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
PubChem CID11957253
Molecular FormulaC15H11F2N3O3S
Molecular Weight351.33 g/mol
Exact Mass351.05
IUPAC NameN-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N3O3S/c16-9-2-1-8(7-10(9)17)18-12(21)3-5-20-14(22)13-11(4-6-24-13)19-15(20)23/h1-2,4,6-7H,3,5H2,(H,18,21)(H,19,23)
InChIKeyIRJFAALAXSAYQH-UHFFFAOYSA-N
XLogP2.06
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenyl-3-(prop-2-en-1-yl)-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 2471294
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
6-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-phenylhexanamide
CID 12004821
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
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 3237000
N-cycloheptyl-2-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)acetamide
CID 3239877
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 3241176
3-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 3242310

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide (CID 11957253) is N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide is O=C(CCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The InChIKey is IRJFAALAXSAYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S/c16-9-2-1-8(7-10(9)17)18-12(21)3-5-20-14(22)13-11(4-6-24-13)19-15(20)23/h1-2,4,6-7H,3,5H2,(H,18,21)(H,19,23).
What are the key properties of N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide has a molecular weight of 351.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 11957253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).