N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

C18H15N3O2S — CID 110771646

IUPACN-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCC1Sc2ccc(CC(=O)Nc3ccccc3C#N)cc2NC1=O
InChIInChI=1S/C18H15N3O2S/c1-11-18(23)21-15-8-12(6-7-16(15)24-11)9-17(22)20-14-5-3-2-4-13(14)10-19/h2-8,11H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyBEXQTTDAODTJOR-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.17
Rot. Bonds3

About N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (PubChem CID 110771646) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
PubChem CID110771646
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCC1Sc2ccc(CC(=O)Nc3ccccc3C#N)cc2NC1=O
InChIInChI=1S/C18H15N3O2S/c1-11-18(23)21-15-8-12(6-7-16(15)24-11)9-17(22)20-14-5-3-2-4-13(14)10-19/h2-8,11H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyBEXQTTDAODTJOR-UHFFFAOYSA-N
XLogP3.17
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771581
N-(2-cyanophenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1163980
2,2-dimethyl-3-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)propanenitrile
CID 116927683
1-methyl-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115169162
ethyl 2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetate
CID 116932089
4-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)butanenitrile
CID 82479571
N-(2-cyanophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 681566
N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107021013
2-methyl-3-oxo-N-(2-propan-2-ylphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 16618740
(2R)-N-(2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41176183
2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 110771593
2-methyl-6-[[methyl(propan-2-yl)amino]methyl]-4H-1,4-benzothiazin-3-one
CID 117044059

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (CID 110771646) is N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is CC1Sc2ccc(CC(=O)Nc3ccccc3C#N)cc2NC1=O.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The InChIKey is BEXQTTDAODTJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-11-18(23)21-15-8-12(6-7-16(15)24-11)9-17(22)20-14-5-3-2-4-13(14)10-19/h2-8,11H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is sourced from PubChem (CID 110771646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).