2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide

C23H30FN3O3S — CID 175418860

IUPAC2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCN(C)CC2)ccc1NC(=O)c1c(C)cccc1F
InChIInChI=1S/C23H30FN3O3S/c1-15-6-5-7-20(24)22(15)23(28)25-21-9-8-19(14-16(21)2)31(29,30)26-17(3)18-10-12-27(4)13-11-18/h5-9,14,17-18,26H,10-13H2,1-4H3,(H,25,28)
InChIKeyUVSMDUBLYRCMHX-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.70
Rot. Bonds6

About 2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide

2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide (PubChem CID 175418860) has the molecular formula C23H30FN3O3S and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide
PubChem CID175418860
Molecular FormulaC23H30FN3O3S
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCN(C)CC2)ccc1NC(=O)c1c(C)cccc1F
InChIInChI=1S/C23H30FN3O3S/c1-15-6-5-7-20(24)22(15)23(28)25-21-9-8-19(14-16(21)2)31(29,30)26-17(3)18-10-12-27(4)13-11-18/h5-9,14,17-18,26H,10-13H2,1-4H3,(H,25,28)
InChIKeyUVSMDUBLYRCMHX-UHFFFAOYSA-N
XLogP3.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide
CID 167339683
3-methyl-4-[(2-methylphenyl)methylamino]-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 166926317
2-methyl-N-[2-methyl-4-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]sulfamoyl]phenyl]benzamide
CID 167339875
2-methyl-N-[2-methyl-4-[1-(oxan-4-yl)ethylsulfamoyl]phenyl]benzamide
CID 166925879
3-methyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-4-[(2,2,2-trifluoro-1-phenylethyl)amino]benzenesulfonamide
CID 167339892
tert-butyl 4-[(1R)-1-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]ethyl]piperidine-1-carboxylate
CID 167339900
N-[4-[1-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]ethylsulfamoyl]-2-methylphenyl]-2-methylbenzamide
CID 167340016
N-[4-[[(1R)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]sulfamoyl]-2-methylphenyl]-2-methylbenzamide
CID 167339725
4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride
CID 167339835
N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 167339748
N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide
CID 166926102
N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide
CID 167339788

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide (CID 175418860) is 2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide is Cc1cc(S(=O)(=O)NC(C)C2CCN(C)CC2)ccc1NC(=O)c1c(C)cccc1F.
What is the InChIKey of 2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide?
The InChIKey is UVSMDUBLYRCMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3S/c1-15-6-5-7-20(24)22(15)23(28)25-21-9-8-19(14-16(21)2)31(29,30)26-17(3)18-10-12-27(4)13-11-18/h5-9,14,17-18,26H,10-13H2,1-4H3,(H,25,28).
What are the key properties of 2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide?
2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide has a molecular weight of 447.58 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide is sourced from PubChem (CID 175418860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).