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

C21H23N3O3S — CID 51064614

IUPAC3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc3ncn(C4CCCC4)c(=O)c3c2C)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-27-16-10-8-14(9-11-16)23-19(25)18-13(2)17-20(28-18)22-12-24(21(17)26)15-6-4-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,25)
InChIKeyAWMLPBATUDELSJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.53
Rot. Bonds5

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

3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 51064614) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID51064614
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc3ncn(C4CCCC4)c(=O)c3c2C)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-27-16-10-8-14(9-11-16)23-19(25)18-13(2)17-20(28-18)22-12-24(21(17)26)15-6-4-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,25)
InChIKeyAWMLPBATUDELSJ-UHFFFAOYSA-N
XLogP4.53
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-N-(3-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 51064604
3-[2-(diethylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 22330612
N-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4518303
3-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 44638658
3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxo-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 6617397
3-benzyl-N-(4-butoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110499662
3-[2-(4-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40913563
3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 126479751
N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 60549118
ethyl (2S)-2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]butanoate
CID 1078269
N-(4-ethoxyphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4150022
3,5-dimethyl-4-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 38197107

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 51064614) is 3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is CCOc1ccc(NC(=O)c2sc3ncn(C4CCCC4)c(=O)c3c2C)cc1.
What is the InChIKey of 3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AWMLPBATUDELSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-27-16-10-8-14(9-11-16)23-19(25)18-13(2)17-20(28-18)22-12-24(21(17)26)15-6-4-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,25).
What are the key properties of 3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 51064614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).