N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

C17H24N2O3S — CID 75767979

IUPACN-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCOCCCNC(=O)C1(C)Sc2ccccc2N(CC)C1=O
InChIInChI=1S/C17H24N2O3S/c1-4-19-13-9-6-7-10-14(13)23-17(3,16(19)21)15(20)18-11-8-12-22-5-2/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,18,20)
InChIKeyKNIBAULPUSQWRM-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.45
Rot. Bonds7

About N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 75767979) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID75767979
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCOCCCNC(=O)C1(C)Sc2ccccc2N(CC)C1=O
InChIInChI=1S/C17H24N2O3S/c1-4-19-13-9-6-7-10-14(13)23-17(3,16(19)21)15(20)18-11-8-12-22-5-2/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,18,20)
InChIKeyKNIBAULPUSQWRM-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769300
N-(3,4-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769299
N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686331
4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide
CID 75767961
4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one
CID 75768019
4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767999
4-ethyl-2-methyl-3-oxo-N-[3-(propylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,4-benzothiazine-2-carboxamide
CID 75769338
N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767813
N-(3-ethoxypropyl)-1-(2-methoxyphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363632
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 75767979) is N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is CCOCCCNC(=O)C1(C)Sc2ccccc2N(CC)C1=O.
What is the InChIKey of N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is KNIBAULPUSQWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-4-19-13-9-6-7-10-14(13)23-17(3,16(19)21)15(20)18-11-8-12-22-5-2/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,18,20).
What are the key properties of N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75767979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).