N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide

C20H18N2O5S — CID 47083523

IUPACN-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide
SMILESC#CCN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H18N2O5S/c1-2-11-22(15-18-6-4-13-27-18)20(23)16-7-9-19(10-8-16)28(24,25)21-14-17-5-3-12-26-17/h1,3-10,12-13,21H,11,14-15H2
InChIKeyMBNCJSBWTHGLQW-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.63
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide

N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide (PubChem CID 47083523) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide
PubChem CID47083523
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC NameN-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide
SMILESC#CCN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H18N2O5S/c1-2-11-22(15-18-6-4-13-27-18)20(23)16-7-9-19(10-8-16)28(24,25)21-14-17-5-3-12-26-17/h1,3-10,12-13,21H,11,14-15H2
InChIKeyMBNCJSBWTHGLQW-UHFFFAOYSA-N
XLogP2.63
TPSA92.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-ethylbutyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 39482925
N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38253066
N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 18271449
4-(furan-2-ylmethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 24547189
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 15999681
4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 4794636
N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide
CID 2124044
N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 2555092
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
3-(furan-2-ylmethylsulfamoyl)-N,N-dipropylbenzamide
CID 109064446
N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 4788612

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide (CID 47083523) is N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide is C#CCN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide?
The InChIKey is MBNCJSBWTHGLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-2-11-22(15-18-6-4-13-27-18)20(23)16-7-9-19(10-8-16)28(24,25)21-14-17-5-3-12-26-17/h1,3-10,12-13,21H,11,14-15H2.
What are the key properties of N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide?
N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide has a molecular weight of 398.44 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 47083523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).