N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide

C16H25N3O3S — CID 119508393

IUPACN-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCCNCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H25N3O3S/c1-2-17-9-10-18-16(20)14-7-6-8-15(13-14)23(21,22)19-11-4-3-5-12-19/h6-8,13,17H,2-5,9-12H2,1H3,(H,18,20)
InChIKeyFCZYIIPIMLQXGI-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.20
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide

N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 119508393) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID119508393
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCCNCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H25N3O3S/c1-2-17-9-10-18-16(20)14-7-6-8-15(13-14)23(21,22)19-11-4-3-5-12-19/h6-8,13,17H,2-5,9-12H2,1H3,(H,18,20)
InChIKeyFCZYIIPIMLQXGI-UHFFFAOYSA-N
XLogP1.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
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-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2329054
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
3-(azepan-1-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120651231
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558
N-(2-amino-2-ethylbutyl)-3-(azepan-1-ylsulfonyl)benzamide
CID 119640716
N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55656722
N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 52792200
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575
N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
2,2-dimethyl-3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119250284

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide (CID 119508393) is N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide is CCNCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is FCZYIIPIMLQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-17-9-10-18-16(20)14-7-6-8-15(13-14)23(21,22)19-11-4-3-5-12-19/h6-8,13,17H,2-5,9-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 119508393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).