N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

C23H32N2O3S — CID 127041244

IUPACN-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H32N2O3S/c1-19(2)22-11-7-8-12-23(22)28-18-17-25-15-13-20(14-16-25)24(3)29(26,27)21-9-5-4-6-10-21/h4-12,19-20H,13-18H2,1-3H3
InChIKeyNHIJPUMRKSHLBI-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.97
Rot. Bonds8

About N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 127041244) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID127041244
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H32N2O3S/c1-19(2)22-11-7-8-12-23(22)28-18-17-25-15-13-20(14-16-25)24(3)29(26,27)21-9-5-4-6-10-21/h4-12,19-20H,13-18H2,1-3H3
InChIKeyNHIJPUMRKSHLBI-UHFFFAOYSA-N
XLogP3.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benproperine
CID 2326
4-fluoro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 71454999
4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
CID 127025243
4-fluoro-N-[1-[3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145974189
5-Methoxy-3-{N-propyl-N-(3-(4-toluenesulfonylamino)propyl]amino}chroman
CID 9980269
3,4-difluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857639
3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71449643
1'-((4'-Methoxy-[1,1'-biphenyl]-4-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308435
1-[1-[4-(2-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118314266
1-[1-[3-(4-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627971
1-[1-[2-(4-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138628055
1-[1-[3-(2-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 141659837

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 127041244) is N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is CC(C)c1ccccc1OCCN1CCC(N(C)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is NHIJPUMRKSHLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-19(2)22-11-7-8-12-23(22)28-18-17-25-15-13-20(14-16-25)24(3)29(26,27)21-9-5-4-6-10-21/h4-12,19-20H,13-18H2,1-3H3.
What are the key properties of N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 416.59 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 127041244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).