N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide

C22H28FN3O3S — CID 167339910

IUPACN-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCNCC2)c(F)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C22H28FN3O3S/c1-14-6-4-5-7-18(14)22(27)25-20-13-19(23)21(12-15(20)2)30(28,29)26-16(3)17-8-10-24-11-9-17/h4-7,12-13,16-17,24,26H,8-11H2,1-3H3,(H,25,27)
InChIKeyOALIQCASZUNDGU-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.36
Rot. Bonds6

About N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide

N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide (PubChem CID 167339910) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
PubChem CID167339910
Molecular FormulaC22H28FN3O3S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC NameN-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCNCC2)c(F)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C22H28FN3O3S/c1-14-6-4-5-7-18(14)22(27)25-20-13-19(23)21(12-15(20)2)30(28,29)26-16(3)17-8-10-24-11-9-17/h4-7,12-13,16-17,24,26H,8-11H2,1-3H3,(H,25,27)
InChIKeyOALIQCASZUNDGU-UHFFFAOYSA-N
XLogP3.36
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 167339813
N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339679
N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 167339748
N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
CID 167339896
2-methyl-N-[4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]-2-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 167339972
4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride
CID 167339835
2-methyl-N-[2-methyl-4-[1-(oxan-4-yl)ethylsulfamoyl]phenyl]benzamide
CID 166925879
N-[4-[[(1R)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]sulfamoyl]-2-methylphenyl]-2-methylbenzamide
CID 167339725
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate
CID 166925882
N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
CID 167339793
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate;hydrochloride
CID 168763736
2-methyl-N-[2-methyl-4-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]sulfamoyl]phenyl]benzamide
CID 167339875

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide (CID 167339910) is N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide is Cc1cc(S(=O)(=O)NC(C)C2CCNCC2)c(F)cc1NC(=O)c1ccccc1C.
What is the InChIKey of N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide?
The InChIKey is OALIQCASZUNDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-14-6-4-5-7-18(14)22(27)25-20-13-19(23)21(12-15(20)2)30(28,29)26-16(3)17-8-10-24-11-9-17/h4-7,12-13,16-17,24,26H,8-11H2,1-3H3,(H,25,27).
What are the key properties of N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide?
N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide has a molecular weight of 433.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 167339910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).