N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide

C20H21N3O4S — CID 42888913

IUPACN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCCc1cc2c(=O)n(NC(=O)c3cccc(OCC4CCCO4)c3)cnc2s1
InChIInChI=1S/C20H21N3O4S/c1-2-16-10-17-19(28-16)21-12-23(20(17)25)22-18(24)13-5-3-6-14(9-13)27-11-15-7-4-8-26-15/h3,5-6,9-10,12,15H,2,4,7-8,11H2,1H3,(H,22,24)
InChIKeySRMNSYOLQOBGPL-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.96
Rot. Bonds6

About N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide

N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 42888913) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID42888913
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCCc1cc2c(=O)n(NC(=O)c3cccc(OCC4CCCO4)c3)cnc2s1
InChIInChI=1S/C20H21N3O4S/c1-2-16-10-17-19(28-16)21-12-23(20(17)25)22-18(24)13-5-3-6-14(9-13)27-11-15-7-4-8-26-15/h3,5-6,9-10,12,15H,2,4,7-8,11H2,1H3,(H,22,24)
InChIKeySRMNSYOLQOBGPL-UHFFFAOYSA-N
XLogP2.96
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 92824814
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
CID 17451363
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 94023247
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38615399
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364315

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide (CID 42888913) is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide is CCc1cc2c(=O)n(NC(=O)c3cccc(OCC4CCCO4)c3)cnc2s1.
What is the InChIKey of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is SRMNSYOLQOBGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-2-16-10-17-19(28-16)21-12-23(20(17)25)22-18(24)13-5-3-6-14(9-13)27-11-15-7-4-8-26-15/h3,5-6,9-10,12,15H,2,4,7-8,11H2,1H3,(H,22,24).
What are the key properties of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide?
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 399.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 42888913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).