N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide

C23H20N4O3S — CID 56500875

IUPACN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1
InChIInChI=1S/C23H20N4O3S/c1-3-18(28)25-17-11-7-10-16(12-17)21(29)26-27-13-24-22-20(23(27)30)19(14(2)31-22)15-8-5-4-6-9-15/h4-13H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCBRWLZZZNNJFSD-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.17
Rot. Bonds5

About N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide

N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide (PubChem CID 56500875) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide
PubChem CID56500875
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1
InChIInChI=1S/C23H20N4O3S/c1-3-18(28)25-17-11-7-10-16(12-17)21(29)26-27-13-24-22-20(23(27)30)19(14(2)31-22)15-8-5-4-6-9-15/h4-13H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCBRWLZZZNNJFSD-UHFFFAOYSA-N
XLogP4.17
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55338227
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55338161
1-ethyl-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
CID 8742011
ethyl 3-[[2-[6-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 40883728
5-bromo-2-fluoro-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)benzamide
CID 55338348
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 55370221
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 55436927
3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 17309540
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55430073
3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55439492
N-(4-fluorophenyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 2792734
2-[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 40588513

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide (CID 56500875) is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1.
What is the InChIKey of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide?
The InChIKey is CBRWLZZZNNJFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-3-18(28)25-17-11-7-10-16(12-17)21(29)26-27-13-24-22-20(23(27)30)19(14(2)31-22)15-8-5-4-6-9-15/h4-13H,3H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide?
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide has a molecular weight of 432.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 56500875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).