N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide

C21H21NO4S — CID 26811818

IUPACN-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H21NO4S/c1-15-8-11-18(27(2,24)25)14-19(15)22-21(23)13-10-17-9-12-20(26-17)16-6-4-3-5-7-16/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,23)
InChIKeyHLWQWGIMRSKPTR-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.23
Rot. Bonds6

About N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide

N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 26811818) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide
PubChem CID26811818
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H21NO4S/c1-15-8-11-18(27(2,24)25)14-19(15)22-21(23)13-10-17-9-12-20(26-17)16-6-4-3-5-7-16/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,23)
InChIKeyHLWQWGIMRSKPTR-UHFFFAOYSA-N
XLogP4.23
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide
CID 22587391
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 24524957
N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
CID 27990757
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
methyl 2-hydroxy-3-[3-(5-phenylfuran-2-yl)propanoylamino]benzoate
CID 56576384
N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide
CID 46271038
N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 22587398
[4-[3-(5-phenylfuran-2-yl)propanoylamino]phenyl] thiocyanate
CID 16651759
2,2-diethyl-4-(2-methyl-5-methylsulfonylanilino)-4-oxobutanoic acid
CID 41391421
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 51073188

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide (CID 26811818) is N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1ccc(-c2ccccc2)o1.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is HLWQWGIMRSKPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-15-8-11-18(27(2,24)25)14-19(15)22-21(23)13-10-17-9-12-20(26-17)16-6-4-3-5-7-16/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,23).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide?
N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 383.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 26811818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).