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

C28H23N3O3S — CID 24558348

IUPACN-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cn3cnc4sc(-c5ccccc5)c(C)c4c3=O)cc2)cc1
InChIInChI=1S/C28H23N3O3S/c1-18-24-27(35-25(18)20-6-4-3-5-7-20)29-17-31(28(24)33)16-19-8-10-21(11-9-19)26(32)30-22-12-14-23(34-2)15-13-22/h3-15,17H,16H2,1-2H3,(H,30,32)
InChIKeyIUYUXWCEAWNKGD-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.74
Rot. Bonds6

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

N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide (PubChem CID 24558348) has the molecular formula C28H23N3O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide
PubChem CID24558348
Molecular FormulaC28H23N3O3S
Molecular Weight481.58 g/mol
Exact Mass481.15
IUPAC NameN-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cn3cnc4sc(-c5ccccc5)c(C)c4c3=O)cc2)cc1
InChIInChI=1S/C28H23N3O3S/c1-18-24-27(35-25(18)20-6-4-3-5-7-20)29-17-31(28(24)33)16-19-8-10-21(11-9-19)26(32)30-22-12-14-23(34-2)15-13-22/h3-15,17H,16H2,1-2H3,(H,30,32)
InChIKeyIUYUXWCEAWNKGD-UHFFFAOYSA-N
XLogP5.74
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
CID 55380138
3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 39103381
3-benzyl-N-(4-butoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110499662
N-(4-acetamidophenyl)-3-benzyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 46300340
5-methyl-3-[(4-methylsulfanylphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7609415
N-(4-bromophenyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27540162
3-benzyl-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 9122793
4-[[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]-N-phenylbenzamide
CID 24578025
N-(4-methoxyphenyl)-2-[5-methyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786791
N,N-bis(2-methoxyethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7518844
methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167879535
3-benzyl-5-methyl-4-oxo-N-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 110499715

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide (CID 24558348) is N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide is COc1ccc(NC(=O)c2ccc(Cn3cnc4sc(-c5ccccc5)c(C)c4c3=O)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide?
The InChIKey is IUYUXWCEAWNKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3S/c1-18-24-27(35-25(18)20-6-4-3-5-7-20)29-17-31(28(24)33)16-19-8-10-21(11-9-19)26(32)30-22-12-14-23(34-2)15-13-22/h3-15,17H,16H2,1-2H3,(H,30,32).
What are the key properties of N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide?
N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide has a molecular weight of 481.58 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide is sourced from PubChem (CID 24558348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).