3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide

C18H16N4O3S — CID 55778485

IUPAC3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3cccc(N4CCNC4=O)c3)cc2N1
InChIInChI=1S/C18H16N4O3S/c23-16-10-26-15-5-4-11(8-14(15)21-16)17(24)20-12-2-1-3-13(9-12)22-7-6-19-18(22)25/h1-5,8-9H,6-7,10H2,(H,19,25)(H,20,24)(H,21,23)
InChIKeyVARHZJIBHXZZHK-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.51
Rot. Bonds3

About 3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide

3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 55778485) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
PubChem CID55778485
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3cccc(N4CCNC4=O)c3)cc2N1
InChIInChI=1S/C18H16N4O3S/c23-16-10-26-15-5-4-11(8-14(15)21-16)17(24)20-12-2-1-3-13(9-12)22-7-6-19-18(22)25/h1-5,8-9H,6-7,10H2,(H,19,25)(H,20,24)(H,21,23)
InChIKeyVARHZJIBHXZZHK-UHFFFAOYSA-N
XLogP2.51
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide 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-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
3,4-difluoro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 110874016
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55617249
3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
CID 26592395
3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 55344492
N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7922294
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide
CID 35875201
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
3-(furan-3-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 75392486

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide (CID 55778485) is 3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)Nc3cccc(N4CCNC4=O)c3)cc2N1.
What is the InChIKey of 3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is VARHZJIBHXZZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c23-16-10-26-15-5-4-11(8-14(15)21-16)17(24)20-12-2-1-3-13(9-12)22-7-6-19-18(22)25/h1-5,8-9H,6-7,10H2,(H,19,25)(H,20,24)(H,21,23).
What are the key properties of 3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide?
3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 55778485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).