2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide

C17H27N3O3S — CID 18137011

IUPAC2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-2-3-11-18-17(21)14-20-12-9-15(10-13-20)19-24(22,23)16-7-5-4-6-8-16/h4-8,15,19H,2-3,9-14H2,1H3,(H,18,21)
InChIKeyPQNIFAUNJAVBRR-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.35
Rot. Bonds8

About 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide (PubChem CID 18137011) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide
PubChem CID18137011
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-2-3-11-18-17(21)14-20-12-9-15(10-13-20)19-24(22,23)16-7-5-4-6-8-16/h4-8,15,19H,2-3,9-14H2,1H3,(H,18,21)
InChIKeyPQNIFAUNJAVBRR-UHFFFAOYSA-N
XLogP1.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide 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

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 110883979
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
[2-(butylamino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 30810938
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537
N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374355
2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34267887
ethyl 5-[[2-[4-(benzenesulfonamido)piperidin-1-yl]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56540930
N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide
CID 2190794
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide?
The IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide (CID 18137011) is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide is CCCCNC(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide?
The InChIKey is PQNIFAUNJAVBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-2-3-11-18-17(21)14-20-12-9-15(10-13-20)19-24(22,23)16-7-5-4-6-8-16/h4-8,15,19H,2-3,9-14H2,1H3,(H,18,21).
What are the key properties of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide?
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide has a molecular weight of 353.49 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide is sourced from PubChem (CID 18137011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).