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

C22H27N3O4S2 — CID 20877242

IUPAC2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(CC)CC)cc32)cc1
InChIInChI=1S/C22H27N3O4S2/c1-4-16-7-9-17(10-8-16)23-21(26)14-25-19-13-18(31(28,29)24(5-2)6-3)11-12-20(19)30-15-22(25)27/h7-13H,4-6,14-15H2,1-3H3,(H,23,26)
InChIKeyKGIPEDWNTIUWBX-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.36
Rot. Bonds8

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

2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 20877242) has the molecular formula C22H27N3O4S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide
PubChem CID20877242
Molecular FormulaC22H27N3O4S2
Molecular Weight461.61 g/mol
Exact Mass461.14
IUPAC Name2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(CC)CC)cc32)cc1
InChIInChI=1S/C22H27N3O4S2/c1-4-16-7-9-17(10-8-16)23-21(26)14-25-19-13-18(31(28,29)24(5-2)6-3)11-12-20(19)30-15-22(25)27/h7-13H,4-6,14-15H2,1-3H3,(H,23,26)
InChIKeyKGIPEDWNTIUWBX-UHFFFAOYSA-N
XLogP3.36
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 20964939
N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903155
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(1-phenylbutan-2-yl)acetamide
CID 122175920
N-(4-ethylphenyl)-2-(4-oxo-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 53087919
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide
CID 122175922
2-[6-(dipropylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-heptylacetamide
CID 46372472
N-(4-methylphenyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903189
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 20877262
N-(4-fluorophenyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903157
N-(4-ethylphenyl)-2-[2-methyl-7-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 53087963
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
N-(4-methylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777142

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide (CID 20877242) is 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(CC)CC)cc32)cc1.
What is the InChIKey of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is KGIPEDWNTIUWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S2/c1-4-16-7-9-17(10-8-16)23-21(26)14-25-19-13-18(31(28,29)24(5-2)6-3)11-12-20(19)30-15-22(25)27/h7-13H,4-6,14-15H2,1-3H3,(H,23,26).
What are the key properties of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide?
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 461.61 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 20877242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).