N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide

C17H27N3O3S — CID 119704258

IUPACN-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCNS(=O)(=O)c1ccccc1)C1CCCNC1
InChIInChI=1S/C17H27N3O3S/c1-14(15-6-5-9-18-13-15)12-17(21)19-10-11-20-24(22,23)16-7-3-2-4-8-16/h2-4,7-8,14-15,18,20H,5-6,9-13H2,1H3,(H,19,21)
InChIKeyXBRGMVCFNTYDDD-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.11
Rot. Bonds8

About N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide

N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119704258) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119704258
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCNS(=O)(=O)c1ccccc1)C1CCCNC1
InChIInChI=1S/C17H27N3O3S/c1-14(15-6-5-9-18-13-15)12-17(21)19-10-11-20-24(22,23)16-7-3-2-4-8-16/h2-4,7-8,14-15,18,20H,5-6,9-13H2,1H3,(H,19,21)
InChIKeyXBRGMVCFNTYDDD-UHFFFAOYSA-N
XLogP1.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119704175
N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119755122
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723723
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide
CID 119769268
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide (CID 119704258) is N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCCNS(=O)(=O)c1ccccc1)C1CCCNC1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is XBRGMVCFNTYDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14(15-6-5-9-18-13-15)12-17(21)19-10-11-20-24(22,23)16-7-3-2-4-8-16/h2-4,7-8,14-15,18,20H,5-6,9-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide?
N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 353.49 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119704258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).