N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide

C17H19N3O3S — CID 51087508

IUPACN-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
SMILESCC(C)Cc1csc2nc(CC(=O)NCc3ccco3)[nH]c(=O)c12
InChIInChI=1S/C17H19N3O3S/c1-10(2)6-11-9-24-17-15(11)16(22)19-13(20-17)7-14(21)18-8-12-4-3-5-23-12/h3-5,9-10H,6-8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyCRUDLXHPSCFPPE-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.63
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide

N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide (PubChem CID 51087508) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
PubChem CID51087508
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
SMILESCC(C)Cc1csc2nc(CC(=O)NCc3ccco3)[nH]c(=O)c12
InChIInChI=1S/C17H19N3O3S/c1-10(2)6-11-9-24-17-15(11)16(22)19-13(20-17)7-14(21)18-8-12-4-3-5-23-12/h3-5,9-10H,6-8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyCRUDLXHPSCFPPE-UHFFFAOYSA-N
XLogP2.63
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-methylpropyl N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
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5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
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(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
2-(2-anilino-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 27377722
2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide (CID 51087508) is N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide is CC(C)Cc1csc2nc(CC(=O)NCc3ccco3)[nH]c(=O)c12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
The InChIKey is CRUDLXHPSCFPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-10(2)6-11-9-24-17-15(11)16(22)19-13(20-17)7-14(21)18-8-12-4-3-5-23-12/h3-5,9-10H,6-8H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 51087508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).