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

C21H24N2O3S — CID 75767999

IUPAC4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)N(C)Cc2ccc(OC)cc2)Sc2ccccc21
InChIInChI=1S/C21H24N2O3S/c1-5-23-17-8-6-7-9-18(17)27-21(2,20(23)25)19(24)22(3)14-15-10-12-16(26-4)13-11-15/h6-13H,5,14H2,1-4H3
InChIKeyIKNFLMIKMDHSHN-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.57
Rot. Bonds5

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

4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 75767999) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID75767999
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)N(C)Cc2ccc(OC)cc2)Sc2ccccc21
InChIInChI=1S/C21H24N2O3S/c1-5-23-17-8-6-7-9-18(17)27-21(2,20(23)25)19(24)22(3)14-15-10-12-16(26-4)13-11-15/h6-13H,5,14H2,1-4H3
InChIKeyIKNFLMIKMDHSHN-UHFFFAOYSA-N
XLogP3.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one
CID 75768019
N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769304
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769293
2-(dimethylamino)-5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-3H-1,5-benzothiazepin-4-one
CID 122236668
4-ethyl-2-methyl-2-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1,4-benzothiazin-3-one
CID 75768089
N-(3,4-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767943
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65465742
N-(3,4-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769299
N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75768076
4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide
CID 75768040
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 54869116
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 75767999) is 4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)N(C)Cc2ccc(OC)cc2)Sc2ccccc21.
What is the InChIKey of 4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is IKNFLMIKMDHSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-5-23-17-8-6-7-9-18(17)27-21(2,20(23)25)19(24)22(3)14-15-10-12-16(26-4)13-11-15/h6-13H,5,14H2,1-4H3.
What are the key properties of 4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75767999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).