N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide

C19H20ClN3O4S2 — CID 55590262

IUPACN-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCSc3ccc(Cl)cc32)cc1
InChIInChI=1S/C19H20ClN3O4S2/c1-13(24)21-15-4-6-16(7-5-15)29(26,27)22(2)12-19(25)23-9-10-28-18-8-3-14(20)11-17(18)23/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyAUGGZKVNZFAPRX-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.06
Rot. Bonds5

About N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide

N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide (PubChem CID 55590262) has the molecular formula C19H20ClN3O4S2 and a molecular weight of 453.97 g/mol. Its IUPAC name is N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
PubChem CID55590262
Molecular FormulaC19H20ClN3O4S2
Molecular Weight453.97 g/mol
Exact Mass453.06
IUPAC NameN-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCSc3ccc(Cl)cc32)cc1
InChIInChI=1S/C19H20ClN3O4S2/c1-13(24)21-15-4-6-16(7-5-15)29(26,27)22(2)12-19(25)23-9-10-28-18-8-3-14(20)11-17(18)23/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyAUGGZKVNZFAPRX-UHFFFAOYSA-N
XLogP3.06
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55589821
N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 18189914
N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 32501120
4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 46283550
2-chloro-1-(7-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 166404304
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356
N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47024797
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 55589729
N-[4-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 4847240
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 100792364
3-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 55590079
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 2475617

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide (CID 55590262) is N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCSc3ccc(Cl)cc32)cc1.
What is the InChIKey of N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
The InChIKey is AUGGZKVNZFAPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S2/c1-13(24)21-15-4-6-16(7-5-15)29(26,27)22(2)12-19(25)23-9-10-28-18-8-3-14(20)11-17(18)23/h3-8,11H,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide has a molecular weight of 453.97 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 55590262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).