N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide

C19H22N2O4S — CID 18271449

IUPACN-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESC#CC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-19(5-2,6-3)21-18(22)15-9-11-17(12-10-15)26(23,24)20-14-16-8-7-13-25-16/h1,7-13,20H,5-6,14H2,2-3H3,(H,21,22)
InChIKeyBWULUWVAEFNWNS-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.68
Rot. Bonds8

About N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide

N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 18271449) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID18271449
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESC#CC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-19(5-2,6-3)21-18(22)15-9-11-17(12-10-15)26(23,24)20-14-16-8-7-13-25-16/h1,7-13,20H,5-6,14H2,2-3H3,(H,21,22)
InChIKeyBWULUWVAEFNWNS-UHFFFAOYSA-N
XLogP2.68
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 18166012
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide
CID 2124044
N-[(2-ethoxy-4-pyridinyl)methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55707674
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 4788612
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide
CID 47083523
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 18271449) is N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide is C#CC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is BWULUWVAEFNWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-19(5-2,6-3)21-18(22)15-9-11-17(12-10-15)26(23,24)20-14-16-8-7-13-25-16/h1,7-13,20H,5-6,14H2,2-3H3,(H,21,22).
What are the key properties of N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 18271449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).