N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide

C20H20N2O4S — CID 1107707

IUPACN-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccco2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2O4S/c1-27(24,25)22(18-6-3-2-4-7-18)15-16-9-11-17(12-10-16)20(23)21-14-19-8-5-13-26-19/h2-13H,14-15H2,1H3,(H,21,23)
InChIKeyCBEKROUMRNKPJA-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.18
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide

N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide (PubChem CID 1107707) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
PubChem CID1107707
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccco2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2O4S/c1-27(24,25)22(18-6-3-2-4-7-18)15-16-9-11-17(12-10-16)20(23)21-14-19-8-5-13-26-19/h2-13H,14-15H2,1H3,(H,21,23)
InChIKeyCBEKROUMRNKPJA-UHFFFAOYSA-N
XLogP3.18
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 53287315
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193
5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 50810462
4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060492
4-[(N-methylsulfonylanilino)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767156
4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide
CID 3119032
4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
CID 1295557
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 30129755
N-(furan-2-ylmethyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947122
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
N-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1210619

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide (CID 1107707) is N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide is CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccco2)cc1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is CBEKROUMRNKPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-27(24,25)22(18-6-3-2-4-7-18)15-16-9-11-17(12-10-16)20(23)21-14-19-8-5-13-26-19/h2-13H,14-15H2,1H3,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide?
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 1107707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).