2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide

C14H12N2O6S2 — CID 66917885

IUPAC2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide
SMILESO=C1COc2cccc(OCC(=O)NS(=O)(=O)c3cccs3)c2N1
InChIInChI=1S/C14H12N2O6S2/c17-11-7-21-9-3-1-4-10(14(9)15-11)22-8-12(18)16-24(19,20)13-5-2-6-23-13/h1-6H,7-8H2,(H,15,17)(H,16,18)
InChIKeyZBHQNJXVPIBBIU-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.96
Rot. Bonds5

About 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide

2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide (PubChem CID 66917885) has the molecular formula C14H12N2O6S2 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide
PubChem CID66917885
Molecular FormulaC14H12N2O6S2
Molecular Weight368.39 g/mol
Exact Mass368.01
IUPAC Name2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide
SMILESO=C1COc2cccc(OCC(=O)NS(=O)(=O)c3cccs3)c2N1
InChIInChI=1S/C14H12N2O6S2/c17-11-7-21-9-3-1-4-10(14(9)15-11)22-8-12(18)16-24(19,20)13-5-2-6-23-13/h1-6H,7-8H2,(H,15,17)(H,16,18)
InChIKeyZBHQNJXVPIBBIU-UHFFFAOYSA-N
XLogP0.96
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one
CID 166402335
2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide
CID 71941178
5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one
CID 99820097
5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-4H-1,4-benzoxazin-3-one
CID 84595830
2,2-dimethyl-5-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]pentanenitrile
CID 75483091
N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699663
N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide
CID 34145619
2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 38869455
thiophen-2-ylsulfonylurea;urea
CID 19065180
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
(3-oxo-4H-1,4-benzoxazin-5-yl)methanesulfonyl chloride
CID 117408994
N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide
CID 110713222

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide?
The IUPAC name of 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide (CID 66917885) is 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide is O=C1COc2cccc(OCC(=O)NS(=O)(=O)c3cccs3)c2N1.
What is the InChIKey of 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide?
The InChIKey is ZBHQNJXVPIBBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6S2/c17-11-7-21-9-3-1-4-10(14(9)15-11)22-8-12(18)16-24(19,20)13-5-2-6-23-13/h1-6H,7-8H2,(H,15,17)(H,16,18).
What are the key properties of 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide?
2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide has a molecular weight of 368.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]-N-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 66917885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).