(2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide

C24H27FN4O4S — CID 42165505

IUPAC(2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide
SMILESCc1oc(-c2ccccc2NS(=O)(=O)c2cccc(F)c2)nc1CNC(=O)[C@H]1CCCCN1C
InChIInChI=1S/C24H27FN4O4S/c1-16-21(15-26-23(30)22-12-5-6-13-29(22)2)27-24(33-16)19-10-3-4-11-20(19)28-34(31,32)18-9-7-8-17(25)14-18/h3-4,7-11,14,22,28H,5-6,12-13,15H2,1-2H3,(H,26,30)/t22-/m1/s1
InChIKeyOCDFXDDACJBYJQ-JOCHJYFZSA-N
MW486.57 g/mol
LogP3.69
Rot. Bonds7

About (2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide

(2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide (PubChem CID 42165505) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is (2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide
PubChem CID42165505
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name(2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide
SMILESCc1oc(-c2ccccc2NS(=O)(=O)c2cccc(F)c2)nc1CNC(=O)[C@H]1CCCCN1C
InChIInChI=1S/C24H27FN4O4S/c1-16-21(15-26-23(30)22-12-5-6-13-29(22)2)27-24(33-16)19-10-3-4-11-20(19)28-34(31,32)18-9-7-8-17(25)14-18/h3-4,7-11,14,22,28H,5-6,12-13,15H2,1-2H3,(H,26,30)/t22-/m1/s1
InChIKeyOCDFXDDACJBYJQ-JOCHJYFZSA-N
XLogP3.69
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide
CID 118754747
N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide
CID 42170789
N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide
CID 42276741
N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 45165679
(2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide
CID 97187936
(3R)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 42483984
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 42407871
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42212950
2-(1,3-benzodioxol-5-yl)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 42170727
(2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 42162249
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide (CID 42165505) is (2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide is Cc1oc(-c2ccccc2NS(=O)(=O)c2cccc(F)c2)nc1CNC(=O)[C@H]1CCCCN1C.
What is the InChIKey of (2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide?
The InChIKey is OCDFXDDACJBYJQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-16-21(15-26-23(30)22-12-5-6-13-29(22)2)27-24(33-16)19-10-3-4-11-20(19)28-34(31,32)18-9-7-8-17(25)14-18/h3-4,7-11,14,22,28H,5-6,12-13,15H2,1-2H3,(H,26,30)/t22-/m1/s1.
What are the key properties of (2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide?
(2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 42165505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).