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

C19H20N4O3S — CID 8594423

IUPACN,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cn2cnc3sccc3c2=O)cc1
InChIInChI=1S/C19H20N4O3S/c1-3-22(4-2)18(25)13-5-7-14(8-6-13)21-16(24)11-23-12-20-17-15(19(23)26)9-10-27-17/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)
InChIKeyIHDBDFGHOUZEBO-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.58
Rot. Bonds6

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

N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide (PubChem CID 8594423) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
PubChem CID8594423
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cn2cnc3sccc3c2=O)cc1
InChIInChI=1S/C19H20N4O3S/c1-3-22(4-2)18(25)13-5-7-14(8-6-13)21-16(24)11-23-12-20-17-15(19(23)26)9-10-27-17/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)
InChIKeyIHDBDFGHOUZEBO-UHFFFAOYSA-N
XLogP2.58
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N,N-diethylbenzamide
CID 26899634
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083982
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594353
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24593237
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17425297
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)acetamide
CID 138051400

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide (CID 8594423) is N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)Cn2cnc3sccc3c2=O)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
The InChIKey is IHDBDFGHOUZEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-3-22(4-2)18(25)13-5-7-14(8-6-13)21-16(24)11-23-12-20-17-15(19(23)26)9-10-27-17/h5-10,12H,3-4,11H2,1-2H3,(H,21,24).
What are the key properties of N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide has a molecular weight of 384.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 8594423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).