N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide

C18H25N3O4S — CID 18574300

IUPACN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C18H25N3O4S/c22-17(18(23)20-14-9-10-14)19-12-11-15-6-4-5-13-21(15)26(24,25)16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2,(H,19,22)(H,20,23)
InChIKeySXVNPKPYFBPCPY-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.01
Rot. Bonds6

About N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide

N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide (PubChem CID 18574300) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide.

Molecular Properties

Compound NameN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide
PubChem CID18574300
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C18H25N3O4S/c22-17(18(23)20-14-9-10-14)19-12-11-15-6-4-5-13-21(15)26(24,25)16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2,(H,19,22)(H,20,23)
InChIKeySXVNPKPYFBPCPY-UHFFFAOYSA-N
XLogP1.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 2957593
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2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2229748
1-[N-(phenylsulfonyl)glycylglycyl]piperidine
CID 2233338
N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 2560197
N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
CID 1433329
4-(4-Fluorophenylsulfonyl)piperazin-2-one
CID 4320295
4-(Phenylsulfonyl)-2-piperazinone
CID 9397001
N-[1-(2-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2,2-dimethyl-propionamide
CID 652036

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide?
The IUPAC name of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide (CID 18574300) is N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide.
What is the SMILES notation for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide?
The canonical SMILES for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide is O=C(NCCC1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CC1.
What is the InChIKey of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide?
The InChIKey is SXVNPKPYFBPCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c22-17(18(23)20-14-9-10-14)19-12-11-15-6-4-5-13-21(15)26(24,25)16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2,(H,19,22)(H,20,23).
What are the key properties of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide?
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide has a molecular weight of 379.48 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopropyloxamide is sourced from PubChem (CID 18574300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).