2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one

C18H12N2O3S2 — CID 59767735

IUPAC2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(Nc2ccc(SOc3ccccc3)cc2)nc2sccc12
InChIInChI=1S/C18H12N2O3S2/c21-17-15-10-11-24-16(15)20-18(22-17)19-12-6-8-14(9-7-12)25-23-13-4-2-1-3-5-13/h1-11H,(H,19,20)
InChIKeyKHYXWNSJUFRABP-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.08
Rot. Bonds5

About 2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one

2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 59767735) has the molecular formula C18H12N2O3S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID59767735
Molecular FormulaC18H12N2O3S2
Molecular Weight368.44 g/mol
Exact Mass368.03
IUPAC Name2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(Nc2ccc(SOc3ccccc3)cc2)nc2sccc12
InChIInChI=1S/C18H12N2O3S2/c21-17-15-10-11-24-16(15)20-18(22-17)19-12-6-8-14(9-7-12)25-23-13-4-2-1-3-5-13/h1-11H,(H,19,20)
InChIKeyKHYXWNSJUFRABP-UHFFFAOYSA-N
XLogP5.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one
CID 71021490
2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
CID 68977440
2-(4-phenoxyanilino)-3,1-benzoxazin-4-one
CID 18762620
2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one
CID 68979734
2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide
CID 69027073
2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 130611453
2-(hexadecylamino)thieno[2,3-d][1,3]oxazin-4-one
CID 10222144
2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one
CID 69026444
6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one
CID 848487
2-propylthieno[2,3-d][1,3]oxazin-4-one
CID 130651588
7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 67624921
2-(4-benzoylanilino)-7-methyl-3,1-benzoxazin-4-one
CID 18762628

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one (CID 59767735) is 2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one is O=c1oc(Nc2ccc(SOc3ccccc3)cc2)nc2sccc12.
What is the InChIKey of 2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is KHYXWNSJUFRABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3S2/c21-17-15-10-11-24-16(15)20-18(22-17)19-12-6-8-14(9-7-12)25-23-13-4-2-1-3-5-13/h1-11H,(H,19,20).
What are the key properties of 2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one?
2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 368.44 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 59767735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).