2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide

C18H19N3O2S — CID 87029582

IUPAC2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide
SMILESCc1cccc(NCC(=O)N2CCSc3ccccc32)c1C(N)=O
InChIInChI=1S/C18H19N3O2S/c1-12-5-4-6-13(17(12)18(19)23)20-11-16(22)21-9-10-24-15-8-3-2-7-14(15)21/h2-8,20H,9-11H2,1H3,(H2,19,23)
InChIKeyKWHNAESKBHBEOJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.64
Rot. Bonds4

About 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide

2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide (PubChem CID 87029582) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide
PubChem CID87029582
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide
SMILESCc1cccc(NCC(=O)N2CCSc3ccccc32)c1C(N)=O
InChIInChI=1S/C18H19N3O2S/c1-12-5-4-6-13(17(12)18(19)23)20-11-16(22)21-9-10-24-15-8-3-2-7-14(15)21/h2-8,20H,9-11H2,1H3,(H2,19,23)
InChIKeyKWHNAESKBHBEOJ-UHFFFAOYSA-N
XLogP2.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide
CID 60536680
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]-4-oxobutanehydrazide
CID 56564819
3-(tert-butylamino)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 61260770
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-4-oxobutanamide
CID 56564293
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone
CID 51155292
[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519684
3-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2,2-dimethylpropan-1-one
CID 113307633
1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylphenyl)ethanone
CID 61038021
[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 16523225
(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 78780639
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61260592

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide?
The IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide (CID 87029582) is 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide?
The canonical SMILES for 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide is Cc1cccc(NCC(=O)N2CCSc3ccccc32)c1C(N)=O.
What is the InChIKey of 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide?
The InChIKey is KWHNAESKBHBEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-5-4-6-13(17(12)18(19)23)20-11-16(22)21-9-10-24-15-8-3-2-7-14(15)21/h2-8,20H,9-11H2,1H3,(H2,19,23).
What are the key properties of 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide?
2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide has a molecular weight of 341.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide is sourced from PubChem (CID 87029582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).