4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide

C18H19N3O4S — CID 110493480

IUPAC4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide
SMILESCOc1ccc(OCCCC(=O)NCc2cc3c(=O)[nH]cnc3s2)cc1
InChIInChI=1S/C18H19N3O4S/c1-24-12-4-6-13(7-5-12)25-8-2-3-16(22)19-10-14-9-15-17(23)20-11-21-18(15)26-14/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyIYPFUEJSNPGRME-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.47
Rot. Bonds8

About 4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide

4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide (PubChem CID 110493480) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide
PubChem CID110493480
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide
SMILESCOc1ccc(OCCCC(=O)NCc2cc3c(=O)[nH]cnc3s2)cc1
InChIInChI=1S/C18H19N3O4S/c1-24-12-4-6-13(7-5-12)25-8-2-3-16(22)19-10-14-9-15-17(23)20-11-21-18(15)26-14/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyIYPFUEJSNPGRME-UHFFFAOYSA-N
XLogP2.47
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-4-phenoxybutanamide
CID 110493454
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 87041312
4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 18139589
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
CID 119625857
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341
4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825763
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 39084934

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide (CID 110493480) is 4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide is COc1ccc(OCCCC(=O)NCc2cc3c(=O)[nH]cnc3s2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide?
The InChIKey is IYPFUEJSNPGRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-24-12-4-6-13(7-5-12)25-8-2-3-16(22)19-10-14-9-15-17(23)20-11-21-18(15)26-14/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of 4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide?
4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide has a molecular weight of 373.43 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]butanamide is sourced from PubChem (CID 110493480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).