5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide

C26H23NO4S — CID 56522776

IUPAC5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23NO4S/c1-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)27-25(28)24-18-17-22(31-24)19-32(29,30)23-15-9-4-10-16-23/h2-18H,19H2,1H3,(H,27,28)
InChIKeyXHGCFUYQICTAKG-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.95
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide (PubChem CID 56522776) has the molecular formula C26H23NO4S and a molecular weight of 445.54 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
PubChem CID56522776
Molecular FormulaC26H23NO4S
Molecular Weight445.54 g/mol
Exact Mass445.13
IUPAC Name5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23NO4S/c1-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)27-25(28)24-18-17-22(31-24)19-32(29,30)23-15-9-4-10-16-23/h2-18H,19H2,1H3,(H,27,28)
InChIKeyXHGCFUYQICTAKG-UHFFFAOYSA-N
XLogP4.95
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 75429137
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide
CID 26362090
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide
CID 26266371
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 26736329
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide (CID 56522776) is 5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide is CC(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide?
The InChIKey is XHGCFUYQICTAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4S/c1-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)27-25(28)24-18-17-22(31-24)19-32(29,30)23-15-9-4-10-16-23/h2-18H,19H2,1H3,(H,27,28).
What are the key properties of 5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide is sourced from PubChem (CID 56522776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).