1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide

C21H25N3O4S — CID 6470610

IUPAC1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O4S/c1-16(25)24-13-11-18(12-14-24)21(26)23-19-7-9-20(10-8-19)29(27,28)22-15-17-5-3-2-4-6-17/h2-10,18,22H,11-15H2,1H3,(H,23,26)
InChIKeyUFRBKDLTJMHKGY-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.36
Rot. Bonds6

About 1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide

1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 6470610) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID6470610
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O4S/c1-16(25)24-13-11-18(12-14-24)21(26)23-19-7-9-20(10-8-19)29(27,28)22-15-17-5-3-2-4-6-17/h2-10,18,22H,11-15H2,1H3,(H,23,26)
InChIKeyUFRBKDLTJMHKGY-UHFFFAOYSA-N
XLogP2.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 2987452
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45019498
N-[4-(butylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081720
N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 4929109
1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308368
N-[4-(tert-butylsulfamoyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224431
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561
N-[4-(methylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26715414

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 6470610) is 1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is UFRBKDLTJMHKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-16(25)24-13-11-18(12-14-24)21(26)23-19-7-9-20(10-8-19)29(27,28)22-15-17-5-3-2-4-6-17/h2-10,18,22H,11-15H2,1H3,(H,23,26).
What are the key properties of 1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 6470610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).