4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide

C23H30N2O3S — CID 97252220

IUPAC4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide
SMILESC=CCOC1CCN(C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-3-17-28-21-13-15-25(16-14-21)18-23(20-7-5-4-6-8-20)24-29(26,27)22-11-9-19(2)10-12-22/h3-12,21,23-24H,1,13-18H2,2H3/t23-/m0/s1
InChIKeySQVGWHXRDIJRAB-QHCPKHFHSA-N
MW414.57 g/mol
LogP3.68
Rot. Bonds9

About 4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide

4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 97252220) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide
PubChem CID97252220
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide
SMILESC=CCOC1CCN(C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-3-17-28-21-13-15-25(16-14-21)18-23(20-7-5-4-6-8-20)24-29(26,27)22-11-9-19(2)10-12-22/h3-12,21,23-24H,1,13-18H2,2H3/t23-/m0/s1
InChIKeySQVGWHXRDIJRAB-QHCPKHFHSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862554
N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 75437835
N-[(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethyl]-4-methylbenzenesulfonamide
CID 11360845
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845033
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
[2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl] propanoate
CID 122211844
N-[4-[[(1S)-2-morpholin-4-yl-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 8844906
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide
CID 8844499

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide (CID 97252220) is 4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide is C=CCOC1CCN(C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is SQVGWHXRDIJRAB-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-3-17-28-21-13-15-25(16-14-21)18-23(20-7-5-4-6-8-20)24-29(26,27)22-11-9-19(2)10-12-22/h3-12,21,23-24H,1,13-18H2,2H3/t23-/m0/s1.
What are the key properties of 4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide?
4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 414.57 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 97252220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).