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-benzyl-4-sulfamoylbenzamide
CID 4347
4-(Aminosulfonyl)benzamide
CID 80563
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
N-Butyl 4-sulfamylbenzamide
CID 10355056
N-Pentyl 4-sulfamylbenzamide
CID 23274923
4-Sulfonamide-(1-(4-Aminobutane))Benzamide
CID 1758
4-Sulfonamide-[4-(Thiomethylaminobutane)]Benzamide
CID 1759
4-(2-Methylpiperidine-1-carbonyl)benzenesulfonamide
CID 43235186

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).