N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C19H19FN2O3S — CID 17410958

IUPACN-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCCCOc1ccccc1F
InChIInChI=1S/C19H19FN2O3S/c20-13-6-1-3-8-15(13)25-11-5-10-21-18(23)12-17-19(24)22-14-7-2-4-9-16(14)26-17/h1-4,6-9,17H,5,10-12H2,(H,21,23)(H,22,24)
InChIKeyZBPTYXOTGGAYGV-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.21
Rot. Bonds7

About N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 17410958) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID17410958
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCCCOc1ccccc1F
InChIInChI=1S/C19H19FN2O3S/c20-13-6-1-3-8-15(13)25-11-5-10-21-18(23)12-17-19(24)22-14-7-2-4-9-16(14)26-17/h1-4,6-9,17H,5,10-12H2,(H,21,23)(H,22,24)
InChIKeyZBPTYXOTGGAYGV-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51165918
N-[2-(3-fluorophenoxy)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55657436
N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 92785319
N-[3-(2-methylpropoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51297091
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenylsulfanylpropyl)acetamide
CID 51161456
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenoxypropyl)acetamide
CID 51286535
N-[2-(dimethylamino)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40591425
N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 94798573
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7607047
N-[2-(2-methylphenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41013278

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 17410958) is N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)NCCCOc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is ZBPTYXOTGGAYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c20-13-6-1-3-8-15(13)25-11-5-10-21-18(23)12-17-19(24)22-14-7-2-4-9-16(14)26-17/h1-4,6-9,17H,5,10-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 17410958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).