4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide

C18H26N2O3S — CID 18166012

IUPAC4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
SMILESC#CC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H26N2O3S/c1-7-18(8-2,9-3)19-16(21)14-10-12-15(13-11-14)24(22,23)20-17(4,5)6/h1,10-13,20H,8-9H2,2-6H3,(H,19,21)
InChIKeyAJTJHHFYQLOKCF-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.69
Rot. Bonds6

About 4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide

4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide (PubChem CID 18166012) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
PubChem CID18166012
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
SMILESC#CC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H26N2O3S/c1-7-18(8-2,9-3)19-16(21)14-10-12-15(13-11-14)24(22,23)20-17(4,5)6/h1,10-13,20H,8-9H2,2-6H3,(H,19,21)
InChIKeyAJTJHHFYQLOKCF-UHFFFAOYSA-N
XLogP2.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 18271449
N-(3-ethylpent-1-yn-3-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 8839640
N-(3-ethylpent-1-yn-3-yl)-4-(methoxymethyl)benzamide
CID 18165913
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 8839629
N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide
CID 18118530
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
CID 51310078
N-(3-ethylpent-1-yn-3-yl)-3-methyl-4-nitrobenzamide
CID 18165891
4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide
CID 62521256
N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
CID 119405530
N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide
CID 49416341

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide (CID 18166012) is 4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide is C#CC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide?
The InChIKey is AJTJHHFYQLOKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-7-18(8-2,9-3)19-16(21)14-10-12-15(13-11-14)24(22,23)20-17(4,5)6/h1,10-13,20H,8-9H2,2-6H3,(H,19,21).
What are the key properties of 4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide?
4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide has a molecular weight of 350.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide is sourced from PubChem (CID 18166012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).