N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C23H25N5O4S — CID 3239865

IUPACN-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)c1
InChIInChI=1S/C23H25N5O4S/c1-14-19-22(24-13-28(23(19)32)12-18(30)27-9-4-3-5-10-27)33-20(14)21(31)26-17-8-6-7-16(11-17)25-15(2)29/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyROGVQLPSIDBUOC-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.99
Rot. Bonds5

About N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 3239865) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID3239865
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC NameN-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)c1
InChIInChI=1S/C23H25N5O4S/c1-14-19-22(24-13-28(23(19)32)12-18(30)27-9-4-3-5-10-27)33-20(14)21(31)26-17-8-6-7-16(11-17)25-15(2)29/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyROGVQLPSIDBUOC-UHFFFAOYSA-N
XLogP2.99
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methylsulfanyl)-3-phenyl-7-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CID 4325210
2-Ethylsulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3H-9-thia-1,3,7-triaza-fluoren-4-one
CID 2258991
7-methyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CID 1888316
2-(ethylsulfanyl)-3-phenyl-7-(propan-2-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CID 1900053
N-(2,4-Dimethylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 606276
3-Benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-N~6~,N~6~,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-D]pyrimidine-6-carboxamide
CID 4232233
2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 1325022
11-Methyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 22464831
2-[4-[2-(11-Methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)ethyl]piperazin-1-yl]benzonitrile
CID 22464842
2-[(11-Methyl-3-oxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide
CID 664249
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-(2-phenylethyl)acetamide
CID 733158
5-methyl-N-(2-methylphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 735015

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 3239865) is N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is CC(=O)Nc1cccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ROGVQLPSIDBUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-14-19-22(24-13-28(23(19)32)12-18(30)27-9-4-3-5-10-27)33-20(14)21(31)26-17-8-6-7-16(11-17)25-15(2)29/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 3239865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).