2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide

C23H21N3O4S2 — CID 169008465

IUPAC2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
SMILESCCC1Sc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2NC1=O
InChIInChI=1S/C23H21N3O4S2/c1-2-20-23(28)25-19-14-15(8-13-21(19)31-20)22(27)24-16-9-11-18(12-10-16)32(29,30)26-17-6-4-3-5-7-17/h3-14,20,26H,2H2,1H3,(H,24,27)(H,25,28)
InChIKeyXZFXRNGKFUKYLQ-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.56
Rot. Bonds6

About 2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide

2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 169008465) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
PubChem CID169008465
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
SMILESCCC1Sc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2NC1=O
InChIInChI=1S/C23H21N3O4S2/c1-2-20-23(28)25-19-14-15(8-13-21(19)31-20)22(27)24-16-9-11-18(12-10-16)32(29,30)26-17-6-4-3-5-7-17/h3-14,20,26H,2H2,1H3,(H,24,27)(H,25,28)
InChIKeyXZFXRNGKFUKYLQ-UHFFFAOYSA-N
XLogP4.56
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-oxo-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 162520983
N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 20903343
6-acetyl-2-ethyl-4H-1,4-benzothiazin-3-one
CID 84614787
2-ethyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl chloride
CID 166899697
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-(5-chloro-2-methylphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 20903336
3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
CID 20902898
4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 19062739
(2S)-3-oxo-N-phenyl-2-(pyrrolidine-1-carbonyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 95085016

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide (CID 169008465) is 2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide is CCC1Sc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2NC1=O.
What is the InChIKey of 2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is XZFXRNGKFUKYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-2-20-23(28)25-19-14-15(8-13-21(19)31-20)22(27)24-16-9-11-18(12-10-16)32(29,30)26-17-6-4-3-5-7-17/h3-14,20,26H,2H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide?
2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 169008465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).