N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

C20H18N4O2S — CID 170639935

IUPACN-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C20H18N4O2S/c25-18(23-15-7-5-14(6-8-15)20-21-10-11-22-20)9-12-24-16-3-1-2-4-17(16)27-13-19(24)26/h1-8,10-11H,9,12-13H2,(H,21,22)(H,23,25)
InChIKeyRUZLYZSXONXJAL-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.54
Rot. Bonds5

About N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (PubChem CID 170639935) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
PubChem CID170639935
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C20H18N4O2S/c25-18(23-15-7-5-14(6-8-15)20-21-10-11-22-20)9-12-24-16-3-1-2-4-17(16)27-13-19(24)26/h1-8,10-11H,9,12-13H2,(H,21,22)(H,23,25)
InChIKeyRUZLYZSXONXJAL-UHFFFAOYSA-N
XLogP3.54
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide
CID 170640017
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210880
N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210299
3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide
CID 31031128
N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9328731
propyl 4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 27669347
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9192811
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
CID 29331567
N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 27667405
ethyl 3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 34202240
N-[4-(1H-imidazol-2-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60613296

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (CID 170639935) is N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.
What is the SMILES notation for N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The canonical SMILES for N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The InChIKey is RUZLYZSXONXJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-18(23-15-7-5-14(6-8-15)20-21-10-11-22-20)9-12-24-16-3-1-2-4-17(16)27-13-19(24)26/h1-8,10-11H,9,12-13H2,(H,21,22)(H,23,25).
What are the key properties of N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide has a molecular weight of 378.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is sourced from PubChem (CID 170639935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).