N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide

C19H18N4O4S — CID 71567008

IUPACN-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
SMILESCN1c2ccc(-c3ccc(C(=O)NCCO)cc3)cc2-c2[nH]ncc2S1(=O)=O
InChIInChI=1S/C19H18N4O4S/c1-23-16-7-6-14(10-15(16)18-17(11-21-22-18)28(23,26)27)12-2-4-13(5-3-12)19(25)20-8-9-24/h2-7,10-11,24H,8-9H2,1H3,(H,20,25)(H,21,22)
InChIKeyRLXHHNOPSKGTDC-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.60
Rot. Bonds4

About N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide

N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide (PubChem CID 71567008) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
PubChem CID71567008
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
SMILESCN1c2ccc(-c3ccc(C(=O)NCCO)cc3)cc2-c2[nH]ncc2S1(=O)=O
InChIInChI=1S/C19H18N4O4S/c1-23-16-7-6-14(10-15(16)18-17(11-21-22-18)28(23,26)27)12-2-4-13(5-3-12)19(25)20-8-9-24/h2-7,10-11,24H,8-9H2,1H3,(H,20,25)(H,21,22)
InChIKeyRLXHHNOPSKGTDC-UHFFFAOYSA-N
XLogP1.60
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-Hydroxyethyl)piperidin-1-Yl][4-(5-Methyl-4,4-Dioxido-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazin-8-Yl)phenyl]methanone
CID 70789288
N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2345132
N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2374283
N-(1H-indazol-6-yl)-4-(morpholinosulfonyl)benzamide
CID 2377036
4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
CID 71567007
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide
CID 66610384
N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide
CID 71567143
5-ethyl-7-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazolo[4,5-c]quinolin-4-one
CID 71539755
2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzenesulfonamide
CID 72202795
N,N-diethyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c]quinolin-7-yl]benzenesulfonamide
CID 89454195
3-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)-N-(2-methoxyethyl)benzamide
CID 71539702
3-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4-sulfamoylphenyl)benzamide
CID 164572116

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide (CID 71567008) is N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide is CN1c2ccc(-c3ccc(C(=O)NCCO)cc3)cc2-c2[nH]ncc2S1(=O)=O.
What is the InChIKey of N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide?
The InChIKey is RLXHHNOPSKGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-23-16-7-6-14(10-15(16)18-17(11-21-22-18)28(23,26)27)12-2-4-13(5-3-12)19(25)20-8-9-24/h2-7,10-11,24H,8-9H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide?
N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide has a molecular weight of 398.44 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide is sourced from PubChem (CID 71567008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).