N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide

C18H20N2OS — CID 20907252

IUPACN-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCCC1CN(C(=O)NCc2ccccc2)c2ccccc2S1
InChIInChI=1S/C18H20N2OS/c1-2-15-13-20(16-10-6-7-11-17(16)22-15)18(21)19-12-14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3,(H,19,21)
InChIKeyCCENZLGVWDCJOU-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.29
Rot. Bonds3

About N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide

N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide (PubChem CID 20907252) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
PubChem CID20907252
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCCC1CN(C(=O)NCc2ccccc2)c2ccccc2S1
InChIInChI=1S/C18H20N2OS/c1-2-15-13-20(16-10-6-7-11-17(16)22-15)18(21)19-12-14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3,(H,19,21)
InChIKeyCCENZLGVWDCJOU-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907239
2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 92713185
N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110748689
2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide
CID 92502222
N-benzyl-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064691
N-[[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]methyl]acetamide
CID 24541520
N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875399
N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 107652895
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899624
N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713164
N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907192

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The IUPAC name of N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide (CID 20907252) is N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The canonical SMILES for N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide is CCC1CN(C(=O)NCc2ccccc2)c2ccccc2S1.
What is the InChIKey of N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The InChIKey is CCENZLGVWDCJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-2-15-13-20(16-10-6-7-11-17(16)22-15)18(21)19-12-14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide is sourced from PubChem (CID 20907252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).