2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide

C22H35N3O4S2 — CID 122175922

IUPAC2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N(CC(C)C)CC(C)C)C(=O)CS2
InChIInChI=1S/C22H35N3O4S2/c1-7-24(8-2)31(28,29)18-9-10-20-19(11-18)25(22(27)15-30-20)14-21(26)23(12-16(3)4)13-17(5)6/h9-11,16-17H,7-8,12-15H2,1-6H3
InChIKeyOWNQMBAXAYMLTK-UHFFFAOYSA-N
MW469.67 g/mol
LogP3.30
Rot. Bonds10

About 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide

2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 122175922) has the molecular formula C22H35N3O4S2 and a molecular weight of 469.67 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID122175922
Molecular FormulaC22H35N3O4S2
Molecular Weight469.67 g/mol
Exact Mass469.21
IUPAC Name2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N(CC(C)C)CC(C)C)C(=O)CS2
InChIInChI=1S/C22H35N3O4S2/c1-7-24(8-2)31(28,29)18-9-10-20-19(11-18)25(22(27)15-30-20)14-21(26)23(12-16(3)4)13-17(5)6/h9-11,16-17H,7-8,12-15H2,1-6H3
InChIKeyOWNQMBAXAYMLTK-UHFFFAOYSA-N
XLogP3.30
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.67
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide
CID 20877242
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 20964939
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(1-phenylbutan-2-yl)acetamide
CID 122175920
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 20877262
2-[6-(dipropylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-heptylacetamide
CID 46372472
methyl 2-[6-(3-methylbutylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917559
N,N-diethyl-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide
CID 50776976
4-[(2-chloro-4-fluorophenyl)methyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-sulfonamide
CID 20964929
4-[2-(azepan-1-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777137
4-[2-(cyclooctylamino)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777316
3-[3-ethoxypropyl-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 119208249
N,N-diethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-sulfonamide
CID 20861516

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide (CID 122175922) is 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N(CC(C)C)CC(C)C)C(=O)CS2.
What is the InChIKey of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is OWNQMBAXAYMLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4S2/c1-7-24(8-2)31(28,29)18-9-10-20-19(11-18)25(22(27)15-30-20)14-21(26)23(12-16(3)4)13-17(5)6/h9-11,16-17H,7-8,12-15H2,1-6H3.
What are the key properties of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide?
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 469.67 g/mol, XLogP of 3.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 122175922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).