4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide

C23H31N3O3S — CID 142727584

IUPAC4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C2CCN(C(=O)NCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-25(2)30(28,29)22-12-10-20(11-13-22)21-14-17-26(18-15-21)23(27)24-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,6,9,14-18H2,1-2H3,(H,24,27)
InChIKeyOFDQEWRRTXCSKE-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.46
Rot. Bonds7

About 4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide

4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide (PubChem CID 142727584) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide
PubChem CID142727584
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C2CCN(C(=O)NCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-25(2)30(28,29)22-12-10-20(11-13-22)21-14-17-26(18-15-21)23(27)24-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,6,9,14-18H2,1-2H3,(H,24,27)
InChIKeyOFDQEWRRTXCSKE-UHFFFAOYSA-N
XLogP3.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tolbutamide
CID 5505
Glycyclamide
CID 12628
4-(2-((Cyclohexylcarbamoyl)amino)ethyl)benzenesulfonamide
CID 841429
Tolbutamide Sodium
CID 23690448
Glyoctamide
CID 13953
Tosifen
CID 36102
(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 118728608
(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
CID 118728609
({[Cyclohexyl(methyl)amino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2814168
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
4-({[(1-Phenylcyclopropyl)carbamoyl]amino}methyl)benzenesulfonamide
CID 729481
1-[1-[4-[Benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-3-methyl-urea
CID 478439

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide (CID 142727584) is 4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide is CN(C)S(=O)(=O)c1ccc(C2CCN(C(=O)NCCCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide?
The InChIKey is OFDQEWRRTXCSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-25(2)30(28,29)22-12-10-20(11-13-22)21-14-17-26(18-15-21)23(27)24-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,6,9,14-18H2,1-2H3,(H,24,27).
What are the key properties of 4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide?
4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 142727584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).