N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide

C24H27FN2O2S — CID 20857327

IUPACN-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide
SMILESCC(C(=O)NC1CCCCC1)C1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C24H27FN2O2S/c1-16(23(28)26-19-7-3-2-4-8-19)22-24(29)27(15-17-11-13-18(25)14-12-17)20-9-5-6-10-21(20)30-22/h5-6,9-14,16,19,22H,2-4,7-8,15H2,1H3,(H,26,28)
InChIKeyDRUIUQOXDMYHIK-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.92
Rot. Bonds5

About N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide

N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide (PubChem CID 20857327) has the molecular formula C24H27FN2O2S and a molecular weight of 426.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide
PubChem CID20857327
Molecular FormulaC24H27FN2O2S
Molecular Weight426.56 g/mol
Exact Mass426.18
IUPAC NameN-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide
SMILESCC(C(=O)NC1CCCCC1)C1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C24H27FN2O2S/c1-16(23(28)26-19-7-3-2-4-8-19)22-24(29)27(15-17-11-13-18(25)14-12-17)20-9-5-6-10-21(20)30-22/h5-6,9-14,16,19,22H,2-4,7-8,15H2,1H3,(H,26,28)
InChIKeyDRUIUQOXDMYHIK-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide?
The IUPAC name of N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide (CID 20857327) is N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide is CC(C(=O)NC1CCCCC1)C1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide?
The InChIKey is DRUIUQOXDMYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2S/c1-16(23(28)26-19-7-3-2-4-8-19)22-24(29)27(15-17-11-13-18(25)14-12-17)20-9-5-6-10-21(20)30-22/h5-6,9-14,16,19,22H,2-4,7-8,15H2,1H3,(H,26,28).
What are the key properties of N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide?
N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide has a molecular weight of 426.56 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide is sourced from PubChem (CID 20857327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).