N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C20H22N4O4S — CID 55500177

IUPACN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C20H22N4O4S/c1-3-23(12-17(25)22-15-6-4-5-7-16(15)28-2)18(26)8-10-24-13-21-19-14(20(24)27)9-11-29-19/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,22,25)
InChIKeyJJZUXHMNCZJQDR-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.34
Rot. Bonds8

About N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 55500177) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID55500177
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C20H22N4O4S/c1-3-23(12-17(25)22-15-6-4-5-7-16(15)28-2)18(26)8-10-24-13-21-19-14(20(24)27)9-11-29-19/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,22,25)
InChIKeyJJZUXHMNCZJQDR-UHFFFAOYSA-N
XLogP2.34
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
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N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
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3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
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N-(1-aminopropan-2-yl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
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3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 91819120
N-(3-methoxy-1-methylpyrazol-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 154781264
N-ethyl-3-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 51184271
N-[2-(azepan-1-yl)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 38283315
[2-oxo-2-(2-phenylanilino)ethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 55500177) is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)CCn1cnc2sccc2c1=O.
What is the InChIKey of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is JJZUXHMNCZJQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-3-23(12-17(25)22-15-6-4-5-7-16(15)28-2)18(26)8-10-24-13-21-19-14(20(24)27)9-11-29-19/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,22,25).
What are the key properties of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 414.49 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 55500177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).