N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride

C23H32ClN3O4S — CID 167339813

IUPACN-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2C)c(C)cc1S(=O)(=O)NC(C)C1CCNCC1.Cl
InChIInChI=1S/C23H31N3O4S.ClH/c1-15-7-5-6-8-19(15)23(27)25-20-14-21(30-4)22(13-16(20)2)31(28,29)26-17(3)18-9-11-24-12-10-18;/h5-8,13-14,17-18,24,26H,9-12H2,1-4H3,(H,25,27);1H
InChIKeyIXRYMXLYDDEPOT-UHFFFAOYSA-N
MW482.05 g/mol
LogP3.65
Rot. Bonds7

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

N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride (PubChem CID 167339813) has the molecular formula C23H32ClN3O4S and a molecular weight of 482.05 g/mol. Its IUPAC name is N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride
PubChem CID167339813
Molecular FormulaC23H32ClN3O4S
Molecular Weight482.05 g/mol
Exact Mass481.18
IUPAC NameN-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2C)c(C)cc1S(=O)(=O)NC(C)C1CCNCC1.Cl
InChIInChI=1S/C23H31N3O4S.ClH/c1-15-7-5-6-8-19(15)23(27)25-20-14-21(30-4)22(13-16(20)2)31(28,29)26-17(3)18-9-11-24-12-10-18;/h5-8,13-14,17-18,24,26H,9-12H2,1-4H3,(H,25,27);1H
InChIKeyIXRYMXLYDDEPOT-UHFFFAOYSA-N
XLogP3.65
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.05
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339910
N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339679
N-[4-[1-(2-bicyclo[2.2.2]octanyl)ethylsulfamoyl]-2,5-dimethoxyphenyl]-2-methylbenzamide
CID 167339860
N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 167339748
2-methyl-N-[4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]-2-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 167339972
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate;hydrochloride
CID 168763736
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate
CID 166925882
N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
CID 167339896
N-[4-[1-(2-bicyclo[2.2.2]octanyl)ethylsulfamoyl]-2-methoxy-5-methylphenyl]-2-methylbenzamide
CID 167339979
4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride
CID 167339835
N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
CID 167339793
2-methyl-N-[2-methyl-4-[1-(oxan-4-yl)ethylsulfamoyl]phenyl]benzamide
CID 166925879

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride (CID 167339813) is N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride is COc1cc(NC(=O)c2ccccc2C)c(C)cc1S(=O)(=O)NC(C)C1CCNCC1.Cl.
What is the InChIKey of N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride?
The InChIKey is IXRYMXLYDDEPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S.ClH/c1-15-7-5-6-8-19(15)23(27)25-20-14-21(30-4)22(13-16(20)2)31(28,29)26-17(3)18-9-11-24-12-10-18;/h5-8,13-14,17-18,24,26H,9-12H2,1-4H3,(H,25,27);1H.
What are the key properties of N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride?
N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride has a molecular weight of 482.05 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 167339813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).