N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide

C21H24N4O5S2 — CID 5128627

IUPACN-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCCCC3)c2c1=O
InChIInChI=1S/C21H24N4O5S2/c1-14-19(32(28,29)25-10-6-3-7-11-25)18-20(31-14)22-13-24(21(18)27)12-17(26)23-15-8-4-5-9-16(15)30-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,23,26)
InChIKeyLJMROZWJHGNVFO-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.59
Rot. Bonds6

About N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 5128627) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID5128627
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC NameN-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCCCC3)c2c1=O
InChIInChI=1S/C21H24N4O5S2/c1-14-19(32(28,29)25-10-6-3-7-11-25)18-20(31-14)22-13-24(21(18)27)12-17(26)23-15-8-4-5-9-16(15)30-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,23,26)
InChIKeyLJMROZWJHGNVFO-UHFFFAOYSA-N
XLogP2.59
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 5128627) is N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide is COc1ccccc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCCCC3)c2c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is LJMROZWJHGNVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-14-19(32(28,29)25-10-6-3-7-11-25)18-20(31-14)22-13-24(21(18)27)12-17(26)23-15-8-4-5-9-16(15)30-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 476.58 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 5128627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).