N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide

C22H29N3O3S — CID 142727612

IUPACN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CCNC(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-24(2)29(27,28)21-10-8-18(9-11-21)12-15-23-22(26)25-16-13-20(14-17-25)19-6-4-3-5-7-19/h3-11,20H,12-17H2,1-2H3,(H,23,26)
InChIKeyXAUSYDHDWCVNAN-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.07
Rot. Bonds6

About N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide

N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 142727612) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide
PubChem CID142727612
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CCNC(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-24(2)29(27,28)21-10-8-18(9-11-21)12-15-23-22(26)25-16-13-20(14-17-25)19-6-4-3-5-7-19/h3-11,20H,12-17H2,1-2H3,(H,23,26)
InChIKeyXAUSYDHDWCVNAN-UHFFFAOYSA-N
XLogP3.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Tosifen
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(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
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(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
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2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 3437887
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
1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
CID 10111188

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide (CID 142727612) is N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide is CN(C)S(=O)(=O)c1ccc(CCNC(=O)N2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is XAUSYDHDWCVNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-24(2)29(27,28)21-10-8-18(9-11-21)12-15-23-22(26)25-16-13-20(14-17-25)19-6-4-3-5-7-19/h3-11,20H,12-17H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide?
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 142727612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).