N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C14H18N2O2S — CID 51155062

IUPACN-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C14H18N2O2S/c1-3-4-7-15-14(18)10-5-6-12-11(8-10)16-13(17)9(2)19-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyBAZCLOMFVFSWNP-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.65
Rot. Bonds4

About N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 51155062) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID51155062
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C14H18N2O2S/c1-3-4-7-15-14(18)10-5-6-12-11(8-10)16-13(17)9(2)19-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyBAZCLOMFVFSWNP-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 51241507
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27231270
N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4565576
N-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147666
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51545650
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 146579222
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 120946907
N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023523
1-[[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544885

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 51155062) is N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCCCNC(=O)c1ccc2c(c1)NC(=O)C(C)S2.
What is the InChIKey of N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is BAZCLOMFVFSWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-4-7-15-14(18)10-5-6-12-11(8-10)16-13(17)9(2)19-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 51155062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).