N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide

C19H26N2O3S — CID 8839640

IUPACN-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESC#CC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H26N2O3S/c1-4-19(5-2,6-3)20-18(22)16-10-12-17(13-11-16)25(23,24)21-14-8-7-9-15-21/h1,10-13H,5-9,14-15H2,2-3H3,(H,20,22)
InChIKeyUIUWWQGGVRLCOS-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.78
Rot. Bonds6

About N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide

N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 8839640) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID8839640
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESC#CC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H26N2O3S/c1-4-19(5-2,6-3)20-18(22)16-10-12-17(13-11-16)25(23,24)21-14-8-7-9-15-21/h1,10-13H,5-9,14-15H2,2-3H3,(H,20,22)
InChIKeyUIUWWQGGVRLCOS-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 8839629
4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 18166012
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
N-(3-ethylpent-1-yn-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8688659
4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
CID 9163758
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide (CID 8839640) is N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide is C#CC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UIUWWQGGVRLCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-4-19(5-2,6-3)20-18(22)16-10-12-17(13-11-16)25(23,24)21-14-8-7-9-15-21/h1,10-13H,5-9,14-15H2,2-3H3,(H,20,22).
What are the key properties of N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide?
N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 362.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 8839640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).