3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide

C18H18N2O3S — CID 9227596

IUPAC3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)NOCc1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-17(19-23-12-14-6-2-1-3-7-14)10-11-20-15-8-4-5-9-16(15)24-13-18(20)22/h1-9H,10-13H2,(H,19,21)
InChIKeyUHCSBDQPLNVSGF-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.76
Rot. Bonds6

About 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide

3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide (PubChem CID 9227596) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide
PubChem CID9227596
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)NOCc1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-17(19-23-12-14-6-2-1-3-7-14)10-11-20-15-8-4-5-9-16(15)24-13-18(20)22/h1-9H,10-13H2,(H,19,21)
InChIKeyUHCSBDQPLNVSGF-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 7268644
4-tert-butyl-N'-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoyl]benzohydrazide
CID 9327474
N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 27667405
4-(2-aminoethyl)-1,4-benzothiazin-3-one
CID 29021484
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9192811
(2,6-dichlorophenyl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8921354
3-(3-oxo-1,4-benzothiazin-4-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46479053
N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210299
4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 7416279
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8922119
3-(3-oxo-1,4-benzothiazin-4-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46644184
propyl 4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 27669347

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide?
The IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide (CID 9227596) is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide is O=C(CCN1C(=O)CSc2ccccc21)NOCc1ccccc1.
What is the InChIKey of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide?
The InChIKey is UHCSBDQPLNVSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-17(19-23-12-14-6-2-1-3-7-14)10-11-20-15-8-4-5-9-16(15)24-13-18(20)22/h1-9H,10-13H2,(H,19,21).
What are the key properties of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide?
3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide has a molecular weight of 342.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylmethoxypropanamide is sourced from PubChem (CID 9227596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).