N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide

C27H30N4O4S — CID 139760436

IUPACN-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCN2CCC(C(=O)c3ccccc3)CC2)c2cccnc2)cc1
InChIInChI=1S/C27H30N4O4S/c1-21(32)29-24-9-11-26(12-10-24)36(34,35)31(25-8-5-15-28-20-25)19-18-30-16-13-23(14-17-30)27(33)22-6-3-2-4-7-22/h2-12,15,20,23H,13-14,16-19H2,1H3,(H,29,32)
InChIKeyUQJUTKLPYBDWMT-UHFFFAOYSA-N
MW506.63 g/mol
LogP3.83
Rot. Bonds9

About N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide

N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide (PubChem CID 139760436) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide
PubChem CID139760436
Molecular FormulaC27H30N4O4S
Molecular Weight506.63 g/mol
Exact Mass506.20
IUPAC NameN-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCN2CCC(C(=O)c3ccccc3)CC2)c2cccnc2)cc1
InChIInChI=1S/C27H30N4O4S/c1-21(32)29-24-9-11-26(12-10-24)36(34,35)31(25-8-5-15-28-20-25)19-18-30-16-13-23(14-17-30)27(33)22-6-3-2-4-7-22/h2-12,15,20,23H,13-14,16-19H2,1H3,(H,29,32)
InChIKeyUQJUTKLPYBDWMT-UHFFFAOYSA-N
XLogP3.83
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-benzoylpiperidin-1-yl)ethyl]-4-[(4-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 139760427
4-benzamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide;(E)-but-2-enedioic acid
CID 19689998
4-(ethylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-ylbenzamide
CID 19690032
3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 33215032
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-yl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 19689922
(E)-but-2-enedioic acid;bis(N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(pentanoylamino)-N-pyridin-3-ylbenzamide)
CID 131720571
but-2-enedioic acid;N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-pyridin-3-yl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 173320195
N-(4-acetylphenyl)-3-(4-benzoylpiperidin-1-yl)propanamide
CID 33215029
N-[4-[methyl(2-piperidin-1-ylethyl)sulfamoyl]phenyl]acetamide
CID 110753478
N-[3-(4-benzoylpiperidin-1-yl)propyl]-2-nitro-N-phenylbenzenesulfonamide
CID 22026028
4-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylphenyl)benzamide
CID 19689916
N-[4-[1-(pyridin-3-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
CID 14130060

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide (CID 139760436) is N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CCN2CCC(C(=O)c3ccccc3)CC2)c2cccnc2)cc1.
What is the InChIKey of N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide?
The InChIKey is UQJUTKLPYBDWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S/c1-21(32)29-24-9-11-26(12-10-24)36(34,35)31(25-8-5-15-28-20-25)19-18-30-16-13-23(14-17-30)27(33)22-6-3-2-4-7-22/h2-12,15,20,23H,13-14,16-19H2,1H3,(H,29,32).
What are the key properties of N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide?
N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide has a molecular weight of 506.63 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-benzoylpiperidin-1-yl)ethyl-pyridin-3-ylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 139760436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).