2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C20H23N3O4S2 — CID 41300624

IUPAC2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)NC[C@@H]3CCCO3)nc2s1
InChIInChI=1S/C20H23N3O4S2/c1-2-15-9-16-18(29-15)22-20(23(19(16)25)11-14-6-4-8-27-14)28-12-17(24)21-10-13-5-3-7-26-13/h4,6,8-9,13H,2-3,5,7,10-12H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyJPXHFIFSXPWHDK-ZDUSSCGKSA-N
MW433.56 g/mol
LogP3.05
Rot. Bonds8

About 2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 41300624) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID41300624
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC Name2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)NC[C@@H]3CCCO3)nc2s1
InChIInChI=1S/C20H23N3O4S2/c1-2-15-9-16-18(29-15)22-20(23(19(16)25)11-14-6-4-8-27-14)28-12-17(24)21-10-13-5-3-7-26-13/h4,6,8-9,13H,2-3,5,7,10-12H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyJPXHFIFSXPWHDK-ZDUSSCGKSA-N
XLogP3.05
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41300627
2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 6488794
6-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 6488789
2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 2564737
2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7596671
2-[[1-(furan-2-ylmethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7596682
4-[[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98360090
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxo-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide
CID 6616368
N-(furan-2-ylmethyl)-2-[[4-oxo-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 112782999
N-(2,3-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 6488777
2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 6488760
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclopropylmethyl)acetamide
CID 46526722

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 41300624) is 2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)NC[C@@H]3CCCO3)nc2s1.
What is the InChIKey of 2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is JPXHFIFSXPWHDK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-2-15-9-16-18(29-15)22-20(23(19(16)25)11-14-6-4-8-27-14)28-12-17(24)21-10-13-5-3-7-26-13/h4,6,8-9,13H,2-3,5,7,10-12H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of 2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 433.56 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 41300624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).