2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide

C18H18N4O3S — CID 5451930

IUPAC2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
SMILESCCc1cc2c(=O)n(CC(=O)N/N=C\c3cccc(OC)c3)cnc2s1
InChIInChI=1S/C18H18N4O3S/c1-3-14-8-15-17(26-14)19-11-22(18(15)24)10-16(23)21-20-9-12-5-4-6-13(7-12)25-2/h4-9,11H,3,10H2,1-2H3,(H,21,23)/b20-9-
InChIKeyKVFAUEKVGZCBKN-UKWGHVSLSA-N
MW370.43 g/mol
LogP2.18
Rot. Bonds6

About 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide

2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 5451930) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
PubChem CID5451930
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
SMILESCCc1cc2c(=O)n(CC(=O)N/N=C\c3cccc(OC)c3)cnc2s1
InChIInChI=1S/C18H18N4O3S/c1-3-14-8-15-17(26-14)19-11-22(18(15)24)10-16(23)21-20-9-12-5-4-6-13(7-12)25-2/h4-9,11H,3,10H2,1-2H3,(H,21,23)/b20-9-
InChIKeyKVFAUEKVGZCBKN-UKWGHVSLSA-N
XLogP2.18
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 5451910
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 5451883
N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1194083
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6864212
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 18203087
N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 135572062
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 35380372
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6864192
N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6864213
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 155755499
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7905300

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide (CID 5451930) is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide is CCc1cc2c(=O)n(CC(=O)N/N=C\c3cccc(OC)c3)cnc2s1.
What is the InChIKey of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is KVFAUEKVGZCBKN-UKWGHVSLSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-3-14-8-15-17(26-14)19-11-22(18(15)24)10-16(23)21-20-9-12-5-4-6-13(7-12)25-2/h4-9,11H,3,10H2,1-2H3,(H,21,23)/b20-9-.
What are the key properties of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5451930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).