N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C24H22N2O2S — CID 46258733

IUPACN-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCCN1CCSc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc21
InChIInChI=1S/C24H22N2O2S/c1-2-26-14-15-29-22-13-12-18(16-21(22)26)24(28)25-20-11-7-6-10-19(20)23(27)17-8-4-3-5-9-17/h3-13,16H,2,14-15H2,1H3,(H,25,28)
InChIKeyQEBVVQAYDWFWQX-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.10
Rot. Bonds5

About N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 46258733) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID46258733
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCCN1CCSc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc21
InChIInChI=1S/C24H22N2O2S/c1-2-26-14-15-29-22-13-12-18(16-21(22)26)24(28)25-20-11-7-6-10-19(20)23(27)17-8-4-3-5-9-17/h3-13,16H,2,14-15H2,1H3,(H,25,28)
InChIKeyQEBVVQAYDWFWQX-UHFFFAOYSA-N
XLogP5.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258738
N-(2,3-dimethylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258743
N,4-dibenzyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 6622632
N-(2-benzoylphenyl)-4-iodobenzamide
CID 76851682
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
methyl 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetyl]amino]benzoate
CID 8591972
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
N-(2-benzoylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4027115
N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide
CID 35325026
(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6625003
2-[[3-(methylsulfanylmethyl)benzoyl]amino]benzoic acid
CID 43353035
N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide
CID 35325275

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 46258733) is N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CCN1CCSc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc21.
What is the InChIKey of N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is QEBVVQAYDWFWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-2-26-14-15-29-22-13-12-18(16-21(22)26)24(28)25-20-11-7-6-10-19(20)23(27)17-8-4-3-5-9-17/h3-13,16H,2,14-15H2,1H3,(H,25,28).
What are the key properties of N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 46258733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).