N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide

C23H30BrN3O3S — CID 42702862

IUPACN-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide
SMILESCCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30BrN3O3S/c1-2-6-22(26-31(29,30)21-11-9-19(24)10-12-21)23(28)25-20-13-15-27(16-14-20)17-18-7-4-3-5-8-18/h3-5,7-12,20,22,26H,2,6,13-17H2,1H3,(H,25,28)
InChIKeyCQCSWWFTSNZUDL-UHFFFAOYSA-N
MW508.48 g/mol
LogP3.68
Rot. Bonds9

About N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide

N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide (PubChem CID 42702862) has the molecular formula C23H30BrN3O3S and a molecular weight of 508.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide
PubChem CID42702862
Molecular FormulaC23H30BrN3O3S
Molecular Weight508.48 g/mol
Exact Mass507.12
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide
SMILESCCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30BrN3O3S/c1-2-6-22(26-31(29,30)21-11-9-19(24)10-12-21)23(28)25-20-13-15-27(16-14-20)17-18-7-4-3-5-8-18/h3-5,7-12,20,22,26H,2,6,13-17H2,1H3,(H,25,28)
InChIKeyCQCSWWFTSNZUDL-UHFFFAOYSA-N
XLogP3.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 42696611
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
(2S)-N-(1-benzylpiperidin-4-yl)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanylbutanamide
CID 92533441
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 132666094
2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide
CID 122489070
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
disodium;2-[(1-benzylpiperidin-4-yl)carbamoyl]propane-1,3-disulfonate
CID 59771634
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide
CID 25044437

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide (CID 42702862) is N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide is CCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide?
The InChIKey is CQCSWWFTSNZUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrN3O3S/c1-2-6-22(26-31(29,30)21-11-9-19(24)10-12-21)23(28)25-20-13-15-27(16-14-20)17-18-7-4-3-5-8-18/h3-5,7-12,20,22,26H,2,6,13-17H2,1H3,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide?
N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide has a molecular weight of 508.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 42702862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).