N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

C27H32N2O3S — CID 10205113

IUPACN-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CN(C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32N2O3S/c1-22-8-14-27(15-9-22)33(30,31)29(21-24-10-12-26(32-2)13-11-24)25-16-18-28(19-17-25)20-23-6-4-3-5-7-23/h3-15,25H,16-21H2,1-2H3
InChIKeyLVZRDSPTUBJMDX-UHFFFAOYSA-N
MW464.63 g/mol
LogP4.86
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 10205113) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID10205113
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CN(C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32N2O3S/c1-22-8-14-27(15-9-22)33(30,31)29(21-24-10-12-26(32-2)13-11-24)25-16-18-28(19-17-25)20-23-6-4-3-5-7-23/h3-15,25H,16-21H2,1-2H3
InChIKeyLVZRDSPTUBJMDX-UHFFFAOYSA-N
XLogP4.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 86870369
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 10138825
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 2910855
N-(1-benzylpiperidin-4-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanethioamide
CID 22643457
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
3,5-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 27664683
N-benzyl-N-methyl-4-[(4-methylsulfonylpiperidin-1-yl)methyl]benzenesulfonamide
CID 59826023
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
N-(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 42853290
N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826080

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 10205113) is N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is COc1ccc(CN(C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is LVZRDSPTUBJMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-22-8-14-27(15-9-22)33(30,31)29(21-24-10-12-26(32-2)13-11-24)25-16-18-28(19-17-25)20-23-6-4-3-5-7-23/h3-15,25H,16-21H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 464.63 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10205113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).