N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide

C21H33N3O3S — CID 167339751

IUPACN-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCNCC2)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C21H33N3O3S/c1-15-14-19(28(26,27)24-16(2)17-10-12-22-13-11-17)8-9-20(15)23-21(25)18-6-4-3-5-7-18/h8-9,14,16-18,22,24H,3-7,10-13H2,1-2H3,(H,23,25)
InChIKeyIDJGRYMNOBYPNY-UHFFFAOYSA-N
MW407.58 g/mol
LogP3.18
Rot. Bonds6

About N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide

N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide (PubChem CID 167339751) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide
PubChem CID167339751
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCNCC2)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C21H33N3O3S/c1-15-14-19(28(26,27)24-16(2)17-10-12-22-13-11-17)8-9-20(15)23-21(25)18-6-4-3-5-7-18/h8-9,14,16-18,22,24H,3-7,10-13H2,1-2H3,(H,23,25)
InChIKeyIDJGRYMNOBYPNY-UHFFFAOYSA-N
XLogP3.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]cyclohexanecarboxamide
CID 166926104
N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]cycloheptanecarboxamide
CID 167339683
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
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
2-methyl-N-[4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]-2-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 167339972
2-methyl-N-[2-methyl-4-[1-(oxan-4-yl)ethylsulfamoyl]phenyl]benzamide
CID 166925879
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate
CID 166925882
N-[4-[[(1R)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]sulfamoyl]-2-methylphenyl]-2-methylbenzamide
CID 167339725
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide (CID 167339751) is N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide is Cc1cc(S(=O)(=O)NC(C)C2CCNCC2)ccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide?
The InChIKey is IDJGRYMNOBYPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-15-14-19(28(26,27)24-16(2)17-10-12-22-13-11-17)8-9-20(15)23-21(25)18-6-4-3-5-7-18/h8-9,14,16-18,22,24H,3-7,10-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide?
N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide has a molecular weight of 407.58 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 167339751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).