5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide

C19H17NO4S — CID 27167042

IUPAC5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C19H17NO4S/c1-14-7-5-6-10-17(14)20-19(21)18-12-11-15(24-18)13-25(22,23)16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,20,21)
InChIKeyCHVQAGSYMDDAMR-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.81
Rot. Bonds5

About 5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide (PubChem CID 27167042) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
PubChem CID27167042
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C19H17NO4S/c1-14-7-5-6-10-17(14)20-19(21)18-12-11-15(24-18)13-25(22,23)16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,20,21)
InChIKeyCHVQAGSYMDDAMR-UHFFFAOYSA-N
XLogP3.81
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 26696587
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide
CID 26520481
5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 26736329
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 46807132
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 75429137
5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352
5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 17403780

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide (CID 27167042) is 5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide is Cc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide?
The InChIKey is CHVQAGSYMDDAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-14-7-5-6-10-17(14)20-19(21)18-12-11-15(24-18)13-25(22,23)16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,20,21).
What are the key properties of 5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 27167042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).