N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

C23H26N4O4S — CID 5072117

IUPACN-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1cnc2sc(C(=O)N3CCCCC3C)c(C)c2c1=O
InChIInChI=1S/C23H26N4O4S/c1-14-8-6-7-11-27(14)23(30)20-15(2)19-21(32-20)24-13-26(22(19)29)12-18(28)25-16-9-4-5-10-17(16)31-3/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3,(H,25,28)
InChIKeyDLHKKWWVLXFEGN-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.43
Rot. Bonds5

About N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 5072117) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID5072117
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1cnc2sc(C(=O)N3CCCCC3C)c(C)c2c1=O
InChIInChI=1S/C23H26N4O4S/c1-14-8-6-7-11-27(14)23(30)20-15(2)19-21(32-20)24-13-26(22(19)29)12-18(28)25-16-9-4-5-10-17(16)31-3/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3,(H,25,28)
InChIKeyDLHKKWWVLXFEGN-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide (CID 5072117) is N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide is COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)N3CCCCC3C)c(C)c2c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is DLHKKWWVLXFEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-14-8-6-7-11-27(14)23(30)20-15(2)19-21(32-20)24-13-26(22(19)29)12-18(28)25-16-9-4-5-10-17(16)31-3/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3,(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 454.55 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 5072117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).