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

C19H20N2O4S — CID 55662714

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C19H20N2O4S/c1-24-8-9-25-15-5-2-13(3-6-15)11-20-19(23)14-4-7-17-16(10-14)21-18(22)12-26-17/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyZIWYOTYLFDVFJV-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.69
Rot. Bonds7

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

N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 55662714) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID55662714
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C19H20N2O4S/c1-24-8-9-25-15-5-2-13(3-6-15)11-20-19(23)14-4-7-17-16(10-14)21-18(22)12-26-17/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyZIWYOTYLFDVFJV-UHFFFAOYSA-N
XLogP2.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.69
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

N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771492
N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55879605
3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 60736157
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239079
methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784769
3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
CID 110784744
N-[(4-methylphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 33239051
2-methoxy-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoic acid
CID 106107780
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27822829
N'-(4-butoxy-3-methoxybenzoyl)-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 25442206
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 55662714) is N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is COCCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is ZIWYOTYLFDVFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-24-8-9-25-15-5-2-13(3-6-15)11-20-19(23)14-4-7-17-16(10-14)21-18(22)12-26-17/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 55662714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).