N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide

C20H20N4O3S — CID 36707078

IUPACN-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
SMILESCCc1cc2c(=O)n(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)cnc2s1
InChIInChI=1S/C20H20N4O3S/c1-2-15-9-16-19(28-15)21-11-24(20(16)27)10-17(25)22-14-5-3-4-12(8-14)18(26)23-13-6-7-13/h3-5,8-9,11,13H,2,6-7,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyABXHMJOSVANNLB-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.55
Rot. Bonds6

About N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide

N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide (PubChem CID 36707078) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
PubChem CID36707078
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
SMILESCCc1cc2c(=O)n(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)cnc2s1
InChIInChI=1S/C20H20N4O3S/c1-2-15-9-16-19(28-15)21-11-24(20(16)27)10-17(25)22-14-5-3-4-12(8-14)18(26)23-13-6-7-13/h3-5,8-9,11,13H,2,6-7,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyABXHMJOSVANNLB-UHFFFAOYSA-N
XLogP2.55
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 78814974
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 38979915
N-(2-bicyclo[1.1.1]pentanyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 164798854
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 35380372
N-[(3,4-dimethylphenyl)carbamoyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 33086255
3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide
CID 51303590
N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1194083
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 18203072
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 18203223
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 18203122
N-[1-(3-chlorophenyl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18203142

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide (CID 36707078) is N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide is CCc1cc2c(=O)n(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)cnc2s1.
What is the InChIKey of N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
The InChIKey is ABXHMJOSVANNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-15-9-16-19(28-15)21-11-24(20(16)27)10-17(25)22-14-5-3-4-12(8-14)18(26)23-13-6-7-13/h3-5,8-9,11,13H,2,6-7,10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide has a molecular weight of 396.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 36707078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).