N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide

C19H15N3O2S — CID 35875201

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide
SMILESO=C1CSc2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2N1
InChIInChI=1S/C19H15N3O2S/c23-18-12-25-17-8-5-14(11-16(17)21-18)20-19(24)13-3-6-15(7-4-13)22-9-1-2-10-22/h1-11H,12H2,(H,20,24)(H,21,23)
InChIKeyCURUYHVDPHOMCL-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.77
Rot. Bonds3

About N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide (PubChem CID 35875201) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide
PubChem CID35875201
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide
SMILESO=C1CSc2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2N1
InChIInChI=1S/C19H15N3O2S/c23-18-12-25-17-8-5-14(11-16(17)21-18)20-19(24)13-3-6-15(7-4-13)22-9-1-2-10-22/h1-11H,12H2,(H,20,24)(H,21,23)
InChIKeyCURUYHVDPHOMCL-UHFFFAOYSA-N
XLogP3.77
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 31722234
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 37014872
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 86839354
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504
N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7922294
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
CID 35875024
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide (CID 35875201) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide is O=C1CSc2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide?
The InChIKey is CURUYHVDPHOMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-18-12-25-17-8-5-14(11-16(17)21-18)20-19(24)13-3-6-15(7-4-13)22-9-1-2-10-22/h1-11H,12H2,(H,20,24)(H,21,23).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide has a molecular weight of 349.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 35875201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).