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

C20H22N2O3S — CID 51156898

IUPACN-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)C(C)S3)cc1
InChIInChI=1S/C20H22N2O3S/c1-4-25-16-8-5-14(6-9-16)12-22(3)20(24)15-7-10-18-17(11-15)21-19(23)13(2)26-18/h5-11,13H,4,12H2,1-3H3,(H,21,23)
InChIKeyFHEWCLFZFNYVAA-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.79
Rot. Bonds5

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

N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 51156898) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID51156898
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)C(C)S3)cc1
InChIInChI=1S/C20H22N2O3S/c1-4-25-16-8-5-14(6-9-16)12-22(3)20(24)15-7-10-18-17(11-15)21-19(23)13(2)26-18/h5-11,13H,4,12H2,1-3H3,(H,21,23)
InChIKeyFHEWCLFZFNYVAA-UHFFFAOYSA-N
XLogP3.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27822829
N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42886140
N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 18117537
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
(2S)-N,2-dimethyl-3-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 135787529
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
ethyl 2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetate
CID 116932089
2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 51241507
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7292126
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34865342
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24565890

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 51156898) is N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCOc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)C(C)S3)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is FHEWCLFZFNYVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-25-16-8-5-14(6-9-16)12-22(3)20(24)15-7-10-18-17(11-15)21-19(23)13(2)26-18/h5-11,13H,4,12H2,1-3H3,(H,21,23).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 51156898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).