N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide

C25H22N4O3S — CID 55436927

IUPACN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1sc2ncn(NC(=O)c3ccc(N4CCCCC4=O)cc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C25H22N4O3S/c1-16-21(17-7-3-2-4-8-17)22-24(33-16)26-15-29(25(22)32)27-23(31)18-10-12-19(13-11-18)28-14-6-5-9-20(28)30/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3,(H,27,31)
InChIKeyRKJOGDZDKOJJNO-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.33
Rot. Bonds4

About N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide

N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 55436927) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID55436927
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1sc2ncn(NC(=O)c3ccc(N4CCCCC4=O)cc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C25H22N4O3S/c1-16-21(17-7-3-2-4-8-17)22-24(33-16)26-15-29(25(22)32)27-23(31)18-10-12-19(13-11-18)28-14-6-5-9-20(28)30/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3,(H,27,31)
InChIKeyRKJOGDZDKOJJNO-UHFFFAOYSA-N
XLogP4.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55338159
N-(benzimidazol-1-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 17417580
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-(4-phenylphenoxy)propanamide
CID 56501012
1-[(1S,2S)-2-methylcyclohexyl]-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
CID 8742078
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55338389
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 55370221
2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56501274
methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103802
N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide
CID 18121150
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55436856
N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 18108449

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide (CID 55436927) is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide is Cc1sc2ncn(NC(=O)c3ccc(N4CCCCC4=O)cc3)c(=O)c2c1-c1ccccc1.
What is the InChIKey of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is RKJOGDZDKOJJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-16-21(17-7-3-2-4-8-17)22-24(33-16)26-15-29(25(22)32)27-23(31)18-10-12-19(13-11-18)28-14-6-5-9-20(28)30/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3,(H,27,31).
What are the key properties of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide?
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 458.54 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 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)-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 55436927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).