N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C21H23N3O3S — CID 5054274

IUPACN-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)cc1
InChIInChI=1S/C21H23N3O3S/c1-14-2-4-15(5-3-14)13-22-19(25)16-6-7-18-17(12-16)23-20(26)21(28-18)24-8-10-27-11-9-24/h2-7,12,21H,8-11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyNMMNIQMUPHUXEV-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.63
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 5054274) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID5054274
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)cc1
InChIInChI=1S/C21H23N3O3S/c1-14-2-4-15(5-3-14)13-22-19(25)16-6-7-18-17(12-16)23-20(26)21(28-18)24-8-10-27-11-9-24/h2-7,12,21H,8-11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyNMMNIQMUPHUXEV-UHFFFAOYSA-N
XLogP2.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696398
N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4615175
(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696395
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3569380
2-morpholin-4-yl-3-oxo-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 4171015
2-morpholin-4-yl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzothiazine-6-carboxamide
CID 3240039
(2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide
CID 92696425
N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4148214
6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
CID 5122142
(2S)-6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
CID 92696424
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
CID 4572104
N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4565576

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 5054274) is N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is NMMNIQMUPHUXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-2-4-15(5-3-14)13-22-19(25)16-6-7-18-17(12-16)23-20(26)21(28-18)24-8-10-27-11-9-24/h2-7,12,21H,8-11,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 5054274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).