1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide

C22H30N2O2S — CID 16891200

IUPAC1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCCc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H30N2O2S/c1-19-7-9-21(10-8-19)18-27(25,26)23-15-5-6-20-11-13-22(14-12-20)24-16-3-2-4-17-24/h7-14,23H,2-6,15-18H2,1H3
InChIKeyRZBWOAJHFZBXDM-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.04
Rot. Bonds8

About 1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide

1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide (PubChem CID 16891200) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide
PubChem CID16891200
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCCc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H30N2O2S/c1-19-7-9-21(10-8-19)18-27(25,26)23-15-5-6-20-11-13-22(14-12-20)24-16-3-2-4-17-24/h7-14,23H,2-6,15-18H2,1H3
InChIKeyRZBWOAJHFZBXDM-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]methanesulfonamide
CID 16890973
1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide
CID 16890576
4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16891081
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
CID 110603663
5-chloro-2-methyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890954
N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 16890244
4-bromo-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890912
N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16890780
1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide
CID 16890761
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
4-ethoxy-3-methyl-N-[3-(4-piperidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16891183

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide (CID 16891200) is 1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide is Cc1ccc(CS(=O)(=O)NCCCc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide?
The InChIKey is RZBWOAJHFZBXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-19-7-9-21(10-8-19)18-27(25,26)23-15-5-6-20-11-13-22(14-12-20)24-16-3-2-4-17-24/h7-14,23H,2-6,15-18H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide?
1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide has a molecular weight of 386.56 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide is sourced from PubChem (CID 16891200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).