methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate

C14H12N2O6S2 — CID 16615870

IUPACmethyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H12N2O6S2/c1-21-14(18)13-9(4-5-23-13)16-24(19,20)8-2-3-11-10(6-8)15-12(17)7-22-11/h2-6,16H,7H2,1H3,(H,15,17)
InChIKeyDWEDBYWPXKSIDQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.67
Rot. Bonds4

About methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 16615870) has the molecular formula C14H12N2O6S2 and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate
PubChem CID16615870
Molecular FormulaC14H12N2O6S2
Molecular Weight368.39 g/mol
Exact Mass368.01
IUPAC Namemethyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H12N2O6S2/c1-21-14(18)13-9(4-5-23-13)16-24(19,20)8-2-3-11-10(6-8)15-12(17)7-22-11/h2-6,16H,7H2,1H3,(H,15,17)
InChIKeyDWEDBYWPXKSIDQ-UHFFFAOYSA-N
XLogP1.67
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate with MolForge

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Related Compounds

N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
CID 16615850
3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 18147171
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615807
1-methyl-3-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]urea
CID 46518720
methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 30713838
N-(3-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548261
3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 16615861
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid
CID 18230441
ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate
CID 18270098

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate (CID 16615870) is methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is DWEDBYWPXKSIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6S2/c1-21-14(18)13-9(4-5-23-13)16-24(19,20)8-2-3-11-10(6-8)15-12(17)7-22-11/h2-6,16H,7H2,1H3,(H,15,17).
What are the key properties of methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 16615870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).