2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

C23H23N3O3S2 — CID 4785670

IUPAC2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCSc3ccccc32)c1
InChIInChI=1S/C23H23N3O3S2/c1-25(19-9-3-2-4-10-19)31(28,29)20-11-7-8-18(16-20)24-23(27)17-26-14-15-30-22-13-6-5-12-21(22)26/h2-13,16H,14-15,17H2,1H3,(H,24,27)
InChIKeyNPZDBWBSBPOREQ-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.06
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4785670) has the molecular formula C23H23N3O3S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID4785670
Molecular FormulaC23H23N3O3S2
Molecular Weight453.59 g/mol
Exact Mass453.12
IUPAC Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCSc3ccccc32)c1
InChIInChI=1S/C23H23N3O3S2/c1-25(19-9-3-2-4-10-19)31(28,29)20-11-7-8-18(16-20)24-23(27)17-26-14-15-30-22-13-6-5-12-21(22)26/h2-13,16H,14-15,17H2,1H3,(H,24,27)
InChIKeyNPZDBWBSBPOREQ-UHFFFAOYSA-N
XLogP4.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51724229
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8591921
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 9467923
2-(3-methyl-2-oxo-1-pyridinyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 56510143
3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 29358158
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 55304420
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CID 16573752
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4880016
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 41166959

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (CID 4785670) is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCSc3ccccc32)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is NPZDBWBSBPOREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S2/c1-25(19-9-3-2-4-10-19)31(28,29)20-11-7-8-18(16-20)24-23(27)17-26-14-15-30-22-13-6-5-12-21(22)26/h2-13,16H,14-15,17H2,1H3,(H,24,27).
What are the key properties of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 453.59 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4785670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).