N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C18H18N2O4S — CID 55879605

IUPACN-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOCCOc1cccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1
InChIInChI=1S/C18H18N2O4S/c1-23-7-8-24-14-4-2-3-13(10-14)19-18(22)12-5-6-16-15(9-12)20-17(21)11-25-16/h2-6,9-10H,7-8,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyJBHXHXSYMOUBER-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.01
Rot. Bonds6

About N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 55879605) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID55879605
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOCCOc1cccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1
InChIInChI=1S/C18H18N2O4S/c1-23-7-8-24-14-4-2-3-13(10-14)19-18(22)12-5-6-16-15(9-12)20-17(21)11-25-16/h2-6,9-10H,7-8,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyJBHXHXSYMOUBER-UHFFFAOYSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 55344492
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55662714
N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42009236
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
CID 35875024
3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
CID 26592395
3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55617249
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 55879605) is N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is COCCOc1cccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is JBHXHXSYMOUBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-23-7-8-24-14-4-2-3-13(10-14)19-18(22)12-5-6-16-15(9-12)20-17(21)11-25-16/h2-6,9-10H,7-8,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 55879605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).