N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C17H17N3O4S — CID 17468203

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccc(OCCNC(=O)Cn2cnc3sccc3c2=O)cc1
InChIInChI=1S/C17H17N3O4S/c1-23-12-2-4-13(5-3-12)24-8-7-18-15(21)10-20-11-19-16-14(17(20)22)6-9-25-16/h2-6,9,11H,7-8,10H2,1H3,(H,18,21)
InChIKeyRDIMDQPANVEEAN-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.66
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 17468203) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID17468203
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccc(OCCNC(=O)Cn2cnc3sccc3c2=O)cc1
InChIInChI=1S/C17H17N3O4S/c1-23-12-2-4-13(5-3-12)24-8-7-18-15(21)10-20-11-19-16-14(17(20)22)6-9-25-16/h2-6,9,11H,7-8,10H2,1H3,(H,18,21)
InChIKeyRDIMDQPANVEEAN-UHFFFAOYSA-N
XLogP1.66
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17410333
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669
N-[2-(4-methoxyphenyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017281
N-[(2-methoxyphenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27687387
ethyl 4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoate
CID 18195399
N-[(2-methylpropan-2-yl)oxy]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 82726092
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 40898847
N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083982
N-[(2,6-difluorophenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 75489789
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24625723
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 17468203) is N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is COc1ccc(OCCNC(=O)Cn2cnc3sccc3c2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is RDIMDQPANVEEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-23-12-2-4-13(5-3-12)24-8-7-18-15(21)10-20-11-19-16-14(17(20)22)6-9-25-16/h2-6,9,11H,7-8,10H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 17468203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).