2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide

C17H15N3O4S — CID 4048190

IUPAC2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nn2c(=S)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C17H15N3O4S/c1-23-11-6-8-12(9-7-11)24-10-15(21)19-20-16(22)13-4-2-3-5-14(13)18-17(20)25/h2-9H,10H2,1H3,(H,18,25)(H,19,21)
InChIKeyNSPFMPPBZJDQLA-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.22
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide

2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide (PubChem CID 4048190) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
PubChem CID4048190
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nn2c(=S)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C17H15N3O4S/c1-23-11-6-8-12(9-7-11)24-10-15(21)19-20-16(22)13-4-2-3-5-14(13)18-17(20)25/h2-9H,10H2,1H3,(H,18,25)(H,19,21)
InChIKeyNSPFMPPBZJDQLA-UHFFFAOYSA-N
XLogP2.22
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
CID 3391433
4-ethoxy-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
CID 3311158
3-(4-methoxyphenyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide
CID 3461121
3-methoxy-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
CID 804987
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]acetamide
CID 78577552
3-(3,5-dimethylpyrazol-1-yl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 3461189
N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-2-phenylbutanamide
CID 2797243
2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
CID 4775451
3-[1-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 17021441
N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide
CID 3665092
N-(4-ethoxyphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 24535994
1,5-dimethyl-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxamide
CID 17021541

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide (CID 4048190) is 2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide is COc1ccc(OCC(=O)Nn2c(=S)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide?
The InChIKey is NSPFMPPBZJDQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-23-11-6-8-12(9-7-11)24-10-15(21)19-20-16(22)13-4-2-3-5-14(13)18-17(20)25/h2-9H,10H2,1H3,(H,18,25)(H,19,21).
What are the key properties of 2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide?
2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide has a molecular weight of 357.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide is sourced from PubChem (CID 4048190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).