3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide

C26H30N4O3S — CID 147331451

IUPAC3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(Cc2cccc(S(=O)(=O)NCCC3CCCCN3)c2)c1
InChIInChI=1S/C26H30N4O3S/c31-26(30-24-10-14-27-15-11-24)22-7-3-5-20(18-22)17-21-6-4-9-25(19-21)34(32,33)29-16-12-23-8-1-2-13-28-23/h3-7,9-11,14-15,18-19,23,28-29H,1-2,8,12-13,16-17H2,(H,27,30,31)
InChIKeyDBSSQKNRDQPVEB-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.74
Rot. Bonds9

About 3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide

3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide (PubChem CID 147331451) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide
PubChem CID147331451
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(Cc2cccc(S(=O)(=O)NCCC3CCCCN3)c2)c1
InChIInChI=1S/C26H30N4O3S/c31-26(30-24-10-14-27-15-11-24)22-7-3-5-20(18-22)17-21-6-4-9-25(19-21)34(32,33)29-16-12-23-8-1-2-13-28-23/h3-7,9-11,14-15,18-19,23,28-29H,1-2,8,12-13,16-17H2,(H,27,30,31)
InChIKeyDBSSQKNRDQPVEB-UHFFFAOYSA-N
XLogP3.74
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(3-piperidin-1-ylpropylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide
CID 157315283
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-methyl-4-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]benzamide
CID 104972549
N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-(pyridin-4-ylcarbamoyl)phenyl]methyl]benzamide
CID 158740294
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723468
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 120723484
3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109065003
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119509919
N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
CID 109064976

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide (CID 147331451) is 3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cccc(Cc2cccc(S(=O)(=O)NCCC3CCCCN3)c2)c1.
What is the InChIKey of 3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide?
The InChIKey is DBSSQKNRDQPVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c31-26(30-24-10-14-27-15-11-24)22-7-3-5-20(18-22)17-21-6-4-9-25(19-21)34(32,33)29-16-12-23-8-1-2-13-28-23/h3-7,9-11,14-15,18-19,23,28-29H,1-2,8,12-13,16-17H2,(H,27,30,31).
What are the key properties of 3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide?
3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide has a molecular weight of 478.62 g/mol, XLogP of 3.74, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-piperidin-2-ylethylsulfamoyl)phenyl]methyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 147331451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).