1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide

C24H30N4O5S — CID 20973047

IUPAC1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC(C)C)CC3)cc2)cc1
InChIInChI=1S/C24H30N4O5S/c1-16(2)25-23(30)18-12-14-28(15-13-18)24(31)19-4-6-21(7-5-19)27-34(32,33)22-10-8-20(9-11-22)26-17(3)29/h4-11,16,18,27H,12-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyUWUXLFAELKSTMG-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.82
Rot. Bonds7

About 1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 20973047) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID20973047
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC(C)C)CC3)cc2)cc1
InChIInChI=1S/C24H30N4O5S/c1-16(2)25-23(30)18-12-14-28(15-13-18)24(31)19-4-6-21(7-5-19)27-34(32,33)22-10-8-20(9-11-22)26-17(3)29/h4-11,16,18,27H,12-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyUWUXLFAELKSTMG-UHFFFAOYSA-N
XLogP2.82
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
N-[4-(butan-2-ylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223986
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973149
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563915
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 20973047) is 1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC(C)C)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is UWUXLFAELKSTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-16(2)25-23(30)18-12-14-28(15-13-18)24(31)19-4-6-21(7-5-19)27-34(32,33)22-10-8-20(9-11-22)26-17(3)29/h4-11,16,18,27H,12-15H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 20973047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).