N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide

C26H29N3O3S — CID 17152498

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H29N3O3S/c1-28(20-21-8-4-2-5-9-21)33(31,32)25-14-12-23(13-15-25)27-26(30)22-16-18-29(19-17-22)24-10-6-3-7-11-24/h2-15,22H,16-20H2,1H3,(H,27,30)
InChIKeyAGJFACKNDGDPSG-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.36
Rot. Bonds7

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide (PubChem CID 17152498) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide
PubChem CID17152498
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H29N3O3S/c1-28(20-21-8-4-2-5-9-21)33(31,32)25-14-12-23(13-15-25)27-26(30)22-16-18-29(19-17-22)24-10-6-3-7-11-24/h2-15,22H,16-20H2,1H3,(H,27,30)
InChIKeyAGJFACKNDGDPSG-UHFFFAOYSA-N
XLogP4.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152471
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 171668777
1-[3-[[(4-bromophenyl)sulfonyl-methylamino]methyl]phenyl]piperidine-4-carboxylic acid
CID 110504593
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55364843
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 55409399
1-[3-[[(3,4-dimethoxyphenyl)sulfonyl-methylamino]methyl]phenyl]piperidine-4-carboxylic acid
CID 110504610
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17081645
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 31493862
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide (CID 17152498) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide?
The InChIKey is AGJFACKNDGDPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-28(20-21-8-4-2-5-9-21)33(31,32)25-14-12-23(13-15-25)27-26(30)22-16-18-29(19-17-22)24-10-6-3-7-11-24/h2-15,22H,16-20H2,1H3,(H,27,30).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17152498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).