N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide

C24H28N2O5S — CID 24524957

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)Nc3cc(S(=O)(=O)N(C)C)cc(C)c3C)o2)cc1
InChIInChI=1S/C24H28N2O5S/c1-16-14-21(32(28,29)26(3)4)15-22(17(16)2)25-24(27)13-11-20-10-12-23(31-20)18-6-8-19(30-5)9-7-18/h6-10,12,14-15H,11,13H2,1-5H3,(H,25,27)
InChIKeyLLLXBSGGCXPTAP-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.39
Rot. Bonds8

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide (PubChem CID 24524957) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
PubChem CID24524957
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)Nc3cc(S(=O)(=O)N(C)C)cc(C)c3C)o2)cc1
InChIInChI=1S/C24H28N2O5S/c1-16-14-21(32(28,29)26(3)4)15-22(17(16)2)25-24(27)13-11-20-10-12-23(31-20)18-6-8-19(30-5)9-7-18/h6-10,12,14-15H,11,13H2,1-5H3,(H,25,27)
InChIKeyLLLXBSGGCXPTAP-UHFFFAOYSA-N
XLogP4.39
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 42209194
N-(2-methoxy-5-methylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 24524655
N-(3,5-dimethylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 22587459
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41364701
N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide
CID 26811818
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
CID 26723837
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 24524663
3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 26010955
methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate
CID 24581952
3-[5-(4-methoxyphenyl)furan-2-yl]-N-propylpropanamide
CID 22587421
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide
CID 27006741
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 24524853

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide (CID 24524957) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide is COc1ccc(-c2ccc(CCC(=O)Nc3cc(S(=O)(=O)N(C)C)cc(C)c3C)o2)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The InChIKey is LLLXBSGGCXPTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-16-14-21(32(28,29)26(3)4)15-22(17(16)2)25-24(27)13-11-20-10-12-23(31-20)18-6-8-19(30-5)9-7-18/h6-10,12,14-15H,11,13H2,1-5H3,(H,25,27).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide has a molecular weight of 456.56 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 24524957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).