N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

C19H21N3O4S2 — CID 9328731

IUPACN-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1
InChIInChI=1S/C19H21N3O4S2/c1-21(2)28(25,26)15-9-7-14(8-10-15)20-18(23)11-12-22-16-5-3-4-6-17(16)27-13-19(22)24/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyUYPUEMDMUJIABR-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.40
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (PubChem CID 9328731) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
PubChem CID9328731
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1
InChIInChI=1S/C19H21N3O4S2/c1-21(2)28(25,26)15-9-7-14(8-10-15)20-18(23)11-12-22-16-5-3-4-6-17(16)27-13-19(22)24/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyUYPUEMDMUJIABR-UHFFFAOYSA-N
XLogP2.40
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (CID 9328731) is N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The InChIKey is UYPUEMDMUJIABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-21(2)28(25,26)15-9-7-14(8-10-15)20-18(23)11-12-22-16-5-3-4-6-17(16)27-13-19(22)24/h3-10H,11-13H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide has a molecular weight of 419.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is sourced from PubChem (CID 9328731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).