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

C18H18N2O3S — CID 26778059

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C18H18N2O3S/c1-23-15-5-3-2-4-12(15)8-9-19-18(22)13-6-7-16-14(10-13)20-17(21)11-24-16/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyFPNGZSIEJXKXDP-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.71
Rot. Bonds5

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

N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 26778059) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID26778059
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C18H18N2O3S/c1-23-15-5-3-2-4-12(15)8-9-19-18(22)13-6-7-16-14(10-13)20-17(21)11-24-16/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyFPNGZSIEJXKXDP-UHFFFAOYSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5142730
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714
3-oxo-N-(3-phenylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 17394149
3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 35875429
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
N-[2-(2,4-dichlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4857980
3-oxo-N-(2-pyridin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 36866253
3-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]benzamide
CID 110790803
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712276
2-methoxy-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoic acid
CID 106107780
N'-(4-butoxy-3-methoxybenzoyl)-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 25442206

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 26778059) is N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is COc1ccccc1CCNC(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is FPNGZSIEJXKXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-23-15-5-3-2-4-12(15)8-9-19-18(22)13-6-7-16-14(10-13)20-17(21)11-24-16/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 26778059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).