N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C21H16N4O3S — CID 55945477

IUPACN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C21H16N4O3S/c26-19(11-18-21(27)25-14-4-1-2-6-17(14)29-18)22-12-7-8-13-15(10-12)24-20(23-13)16-5-3-9-28-16/h1-10,18H,11H2,(H,22,26)(H,23,24)(H,25,27)
InChIKeyMTPJLMVTRYQNNQ-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.26
Rot. Bonds4

About N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 55945477) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID55945477
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C21H16N4O3S/c26-19(11-18-21(27)25-14-4-1-2-6-17(14)29-18)22-12-7-8-13-15(10-12)24-20(23-13)16-5-3-9-28-16/h1-10,18H,11H2,(H,22,26)(H,23,24)(H,25,27)
InChIKeyMTPJLMVTRYQNNQ-UHFFFAOYSA-N
XLogP4.26
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide 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

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 134019708
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7986741
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9495359
N-(4-fluoro-3-nitrophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9212667
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 167813480
N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51165804
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2960294
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1069348
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
CID 11837209

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 55945477) is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1.
What is the InChIKey of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is MTPJLMVTRYQNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c26-19(11-18-21(27)25-14-4-1-2-6-17(14)29-18)22-12-7-8-13-15(10-12)24-20(23-13)16-5-3-9-28-16/h1-10,18H,11H2,(H,22,26)(H,23,24)(H,25,27).
What are the key properties of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 404.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 55945477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).