N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C22H23FN2O2S — CID 60555107

IUPACN-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C22H23FN2O2S/c23-16-11-9-15(10-12-16)21(14-5-1-2-6-14)25-20(26)13-19-22(27)24-17-7-3-4-8-18(17)28-19/h3-4,7-12,14,19,21H,1-2,5-6,13H2,(H,24,27)(H,25,26)
InChIKeyHTPLRZDILMVLAM-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.68
Rot. Bonds5

About N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 60555107) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID60555107
Molecular FormulaC22H23FN2O2S
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC NameN-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C22H23FN2O2S/c23-16-11-9-15(10-12-16)21(14-5-1-2-6-14)25-20(26)13-19-22(27)24-17-7-3-4-8-18(17)28-19/h3-4,7-12,14,19,21H,1-2,5-6,13H2,(H,24,27)(H,25,26)
InChIKeyHTPLRZDILMVLAM-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9231906
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55510985
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 26006978
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9218867
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 26006980
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26002421
2-[2-(4-fluorophenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 134915498
N-(1-methylpiperidin-4-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 30837864
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7329319

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 60555107) is N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)NC(c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is HTPLRZDILMVLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c23-16-11-9-15(10-12-16)21(14-5-1-2-6-14)25-20(26)13-19-22(27)24-17-7-3-4-8-18(17)28-19/h3-4,7-12,14,19,21H,1-2,5-6,13H2,(H,24,27)(H,25,26).
What are the key properties of N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 398.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 60555107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).