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

C23H26N4O4S — CID 4999294

IUPACN-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C
InChIInChI=1S/C23H26N4O4S/c1-14-7-8-17(31-3)16(11-14)25-21(29)20-15(2)19-22(32-20)24-13-27(23(19)30)12-18(28)26-9-5-4-6-10-26/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,25,29)
InChIKeyCIKSKBUIQDNQCK-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.35
Rot. Bonds5

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

N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4999294) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4999294
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C
InChIInChI=1S/C23H26N4O4S/c1-14-7-8-17(31-3)16(11-14)25-21(29)20-15(2)19-22(32-20)24-13-27(23(19)30)12-18(28)26-9-5-4-6-10-26/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,25,29)
InChIKeyCIKSKBUIQDNQCK-UHFFFAOYSA-N
XLogP3.35
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 4999294) is N-(2-methoxy-5-methylphenyl)-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-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(C)cc1NC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CIKSKBUIQDNQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-14-7-8-17(31-3)16(11-14)25-21(29)20-15(2)19-22(32-20)24-13-27(23(19)30)12-18(28)26-9-5-4-6-10-26/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,25,29).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4999294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).