N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C20H23N3O2S — CID 41306034

IUPACN-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCN(CCCNC(=O)c1ccc2c(c1)NC(=O)CS2)Cc1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-23(13-15-6-3-2-4-7-15)11-5-10-21-20(25)16-8-9-18-17(12-16)22-19(24)14-26-18/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyGTVOHRGOWIPUAQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.98
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 41306034) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID41306034
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCN(CCCNC(=O)c1ccc2c(c1)NC(=O)CS2)Cc1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-23(13-15-6-3-2-4-7-15)11-5-10-21-20(25)16-8-9-18-17(12-16)22-19(24)14-26-18/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyGTVOHRGOWIPUAQ-UHFFFAOYSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-(3-phenylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 17394149
N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51153640
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
N-[3-[benzyl(methyl)amino]propyl]-6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 4301347
N-[2-(2-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5142730
3-oxo-N-(2-pyridin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 36866253
N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 26778059
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
4-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 43172408

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 41306034) is N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CN(CCCNC(=O)c1ccc2c(c1)NC(=O)CS2)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is GTVOHRGOWIPUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-23(13-15-6-3-2-4-7-15)11-5-10-21-20(25)16-8-9-18-17(12-16)22-19(24)14-26-18/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 41306034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).