3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide

C25H24N4O3S — CID 46568392

IUPAC3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1
InChIInChI=1S/C25H24N4O3S/c1-3-21(30)27-18-5-4-6-19(13-18)28-22(31)11-12-29-15-26-24-23(25(29)32)20(14-33-24)17-9-7-16(2)8-10-17/h4-10,13-15H,3,11-12H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyNGJDNPMVTGRHIB-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.81
Rot. Bonds7

About 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide

3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide (PubChem CID 46568392) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide
PubChem CID46568392
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1
InChIInChI=1S/C25H24N4O3S/c1-3-21(30)27-18-5-4-6-19(13-18)28-22(31)11-12-29-15-26-24-23(25(29)32)20(14-33-24)17-9-7-16(2)8-10-17/h4-10,13-15H,3,11-12H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyNGJDNPMVTGRHIB-UHFFFAOYSA-N
XLogP4.81
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 25489340
N-methyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 51274519
N-(4-ethylsulfonylphenyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 30179912
N-ethyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 17452209
2-methyl-N-[4-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoylamino]phenyl]propanamide
CID 46669196
N-(3-hydroxy-2-pyridinyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 30162425
N-(2-ethylsulfonylphenyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 55613215
N-[4-(difluoromethoxy)phenyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 34273952
ethyl 3-[[2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 40883744
ethyl 2-[2-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoylamino]-1,3-thiazol-4-yl]acetate
CID 46691556
3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-prop-2-enylpropanamide
CID 27007435
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 55907149

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide (CID 46568392) is 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1.
What is the InChIKey of 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide?
The InChIKey is NGJDNPMVTGRHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-3-21(30)27-18-5-4-6-19(13-18)28-22(31)11-12-29-15-26-24-23(25(29)32)20(14-33-24)17-9-7-16(2)8-10-17/h4-10,13-15H,3,11-12H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide?
3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide has a molecular weight of 460.56 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 46568392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).