N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C19H21N3O2S — CID 51153640

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-22(2)16(13-6-4-3-5-7-13)11-20-19(24)14-8-9-17-15(10-14)21-18(23)12-25-17/h3-10,16H,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyKDFCPUNPXHFLPO-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 51153640) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID51153640
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-22(2)16(13-6-4-3-5-7-13)11-20-19(24)14-8-9-17-15(10-14)21-18(23)12-25-17/h3-10,16H,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyKDFCPUNPXHFLPO-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27740820
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46692231
2-methoxy-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoic acid
CID 106107780
N-(3-amino-2-hydroxy-3-oxopropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 107260991
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
3-oxo-N-(3-phenylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 17394149
1-[[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449165
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
[(1S)-1-(furan-2-yl)-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]-dimethylazanium
CID 8019423
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
6-benzoyl-4H-1,4-benzothiazin-3-one
CID 11958353

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 51153640) is N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CN(C)C(CNC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is KDFCPUNPXHFLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-22(2)16(13-6-4-3-5-7-13)11-20-19(24)14-8-9-17-15(10-14)21-18(23)12-25-17/h3-10,16H,11-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 51153640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).