N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide

C23H19N3O3S — CID 7630229

IUPACN-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C23H19N3O3S/c1-2-21(28)25-17-10-8-15(9-11-17)19(27)13-26-14-24-22-18(23(26)29)12-20(30-22)16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3,(H,25,28)
InChIKeyRRBFBFJVWDTTHG-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.36
Rot. Bonds6

About N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide

N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide (PubChem CID 7630229) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide
PubChem CID7630229
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C23H19N3O3S/c1-2-21(28)25-17-10-8-15(9-11-17)19(27)13-26-14-24-22-18(23(26)29)12-20(30-22)16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3,(H,25,28)
InChIKeyRRBFBFJVWDTTHG-UHFFFAOYSA-N
XLogP4.36
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylsulfanylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24565191
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 27238858
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 9145858
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193249
N-(1,2-oxazol-3-yl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17424882
N-cyclopentyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7630192
N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9455084
N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7886203
butyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 7671833
6-amino-1,3-dimethyl-5-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24584592
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 8644357

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide (CID 7630229) is N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1.
What is the InChIKey of N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide?
The InChIKey is RRBFBFJVWDTTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-2-21(28)25-17-10-8-15(9-11-17)19(27)13-26-14-24-22-18(23(26)29)12-20(30-22)16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3,(H,25,28).
What are the key properties of N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide?
N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide has a molecular weight of 417.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide is sourced from PubChem (CID 7630229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).