N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C16H17N3O3S — CID 47010073

IUPACN-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCC(CCc1ccco1)NC(=O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C16H17N3O3S/c1-11(4-5-12-3-2-7-22-12)18-14(20)9-19-10-17-15-13(16(19)21)6-8-23-15/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,18,20)
InChIKeyRZZFFTIGYPNMDI-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.19
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 47010073) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID47010073
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCC(CCc1ccco1)NC(=O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C16H17N3O3S/c1-11(4-5-12-3-2-7-22-12)18-14(20)9-19-10-17-15-13(16(19)21)6-8-23-15/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,18,20)
InChIKeyRZZFFTIGYPNMDI-UHFFFAOYSA-N
XLogP2.19
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 40898847
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide
CID 51309703
(2S)-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanoic acid
CID 107564302
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9463568
(2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 80749574
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 46545165
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)acetamide
CID 138051400
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236684
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236674
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51589771
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51589770

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 47010073) is N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CC(CCc1ccco1)NC(=O)Cn1cnc2sccc2c1=O.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is RZZFFTIGYPNMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11(4-5-12-3-2-7-22-12)18-14(20)9-19-10-17-15-13(16(19)21)6-8-23-15/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,18,20).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 47010073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).