N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C22H24N4O5S — CID 15996520

IUPACN-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1C
InChIInChI=1S/C22H24N4O5S/c1-3-31-16-7-5-4-6-15(16)24-20(28)19-14(2)18-21(32-19)23-13-26(22(18)29)12-17(27)25-8-10-30-11-9-25/h4-7,13H,3,8-12H2,1-2H3,(H,24,28)
InChIKeyJSGZCMFYIHTHHC-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.28
Rot. Bonds6

About N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 15996520) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID15996520
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1C
InChIInChI=1S/C22H24N4O5S/c1-3-31-16-7-5-4-6-15(16)24-20(28)19-14(2)18-21(32-19)23-13-26(22(18)29)12-17(27)25-8-10-30-11-9-25/h4-7,13H,3,8-12H2,1-2H3,(H,24,28)
InChIKeyJSGZCMFYIHTHHC-UHFFFAOYSA-N
XLogP2.28
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 15996520) is N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is CCOc1ccccc1NC(=O)c1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1C.
What is the InChIKey of N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JSGZCMFYIHTHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-3-31-16-7-5-4-6-15(16)24-20(28)19-14(2)18-21(32-19)23-13-26(22(18)29)12-17(27)25-8-10-30-11-9-25/h4-7,13H,3,8-12H2,1-2H3,(H,24,28).
What are the key properties of N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 15996520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).