N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide

C26H32N2O2S2 — CID 102462473

IUPACN-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide
SMILESCN(C[C@H](CCN1CCC(c2ccccc2)CC1)c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H32N2O2S2/c1-27(32(29,30)25-11-6-3-7-12-25)21-24(26-13-8-20-31-26)16-19-28-17-14-23(15-18-28)22-9-4-2-5-10-22/h2-13,20,23-24H,14-19,21H2,1H3/t24-/m0/s1
InChIKeyBWMWEXXFAXIRIO-DEOSSOPVSA-N
MW468.69 g/mol
LogP5.42
Rot. Bonds9

About N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide

N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide (PubChem CID 102462473) has the molecular formula C26H32N2O2S2 and a molecular weight of 468.69 g/mol. Its IUPAC name is N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide
PubChem CID102462473
Molecular FormulaC26H32N2O2S2
Molecular Weight468.69 g/mol
Exact Mass468.19
IUPAC NameN-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide
SMILESCN(C[C@H](CCN1CCC(c2ccccc2)CC1)c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H32N2O2S2/c1-27(32(29,30)25-11-6-3-7-12-25)21-24(26-13-8-20-31-26)16-19-28-17-14-23(15-18-28)22-9-4-2-5-10-22/h2-13,20,23-24H,14-19,21H2,1H3/t24-/m0/s1
InChIKeyBWMWEXXFAXIRIO-DEOSSOPVSA-N
XLogP5.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.69
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 70263958
N-[2-(4-fluoro-3-methylphenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 23285339
benzyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-thiophen-2-ylbutyl]piperidin-4-yl]-N-prop-2-ynylcarbamate
CID 18407123
N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide
CID 23285239
N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide
CID 23285271
N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
CID 23285220
N-[4-(4-tert-butylpiperidin-1-yl)-2-(3-chlorophenyl)butyl]-N-methylbenzenesulfonamide
CID 23285252
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide
CID 110663687
N-[2-(3-chlorophenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
CID 23285232
N-methyl-N-[(E)-3-phenyl-4-(4-phenylpiperidin-1-yl)but-2-enyl]benzenesulfonamide
CID 23285214
methyl 2-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-(3-chlorophenyl)butyl]piperidin-4-yl]benzoate;hydrochloride
CID 70262323
benzyl N-[1-[(3R)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
CID 57029005

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide (CID 102462473) is N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide is CN(C[C@H](CCN1CCC(c2ccccc2)CC1)c1cccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide?
The InChIKey is BWMWEXXFAXIRIO-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H32N2O2S2/c1-27(32(29,30)25-11-6-3-7-12-25)21-24(26-13-8-20-31-26)16-19-28-17-14-23(15-18-28)22-9-4-2-5-10-22/h2-13,20,23-24H,14-19,21H2,1H3/t24-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide?
N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide has a molecular weight of 468.69 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide is sourced from PubChem (CID 102462473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).