N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C18H16Cl2N2O2S — CID 60537875

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C18H16Cl2N2O2S/c1-2-22(9-11-3-5-13(19)14(20)7-11)18(24)12-4-6-16-15(8-12)21-17(23)10-25-16/h3-8H,2,9-10H2,1H3,(H,21,23)
InChIKeySFAAIFFJRQTQMG-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.70
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 60537875) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID60537875
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C18H16Cl2N2O2S/c1-2-22(9-11-3-5-13(19)14(20)7-11)18(24)12-4-6-16-15(8-12)21-17(23)10-25-16/h3-8H,2,9-10H2,1H3,(H,21,23)
InChIKeySFAAIFFJRQTQMG-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 20967217
N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023514
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 56511302
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27822829
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2453325
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 39858086
methyl 3-[(3,4-dichlorophenyl)methyl-ethylcarbamoyl]benzoate
CID 55915257
1-methyl-1-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115168419
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide
CID 56553596
4-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 43172408
N-[(2-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7965448
N-[2-(2-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5142730

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 60537875) is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is SFAAIFFJRQTQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c1-2-22(9-11-3-5-13(19)14(20)7-11)18(24)12-4-6-16-15(8-12)21-17(23)10-25-16/h3-8H,2,9-10H2,1H3,(H,21,23).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 395.31 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 60537875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).