3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide

C23H26N2O5S — CID 34238896

IUPAC3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C23H26N2O5S/c1-17-6-11-22(18(2)15-17)31(27,28)25(19-7-9-20(29-3)10-8-19)13-12-23(26)24-16-21-5-4-14-30-21/h4-11,14-15H,12-13,16H2,1-3H3,(H,24,26)
InChIKeyJVDCJNSELGEBFC-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.81
Rot. Bonds9

About 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide

3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 34238896) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID34238896
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C23H26N2O5S/c1-17-6-11-22(18(2)15-17)31(27,28)25(19-7-9-20(29-3)10-8-19)13-12-23(26)24-16-21-5-4-14-30-21/h4-11,14-15H,12-13,16H2,1-3H3,(H,24,26)
InChIKeyJVDCJNSELGEBFC-UHFFFAOYSA-N
XLogP3.81
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide
CID 55332200
3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 29435894
N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143143
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1108097
3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113144695
2-[(3R)-1-[3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanoyl]pyrrolidin-3-yl]-N-methylacetamide
CID 166434584
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 1318703
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113144050
N-[[3,5-dimethyl-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-ethylpropanamide
CID 166352873
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113124484
3-(N-(3,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 16551450
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1117129

Frequently Asked Questions

What is the IUPAC name of 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide (CID 34238896) is 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide is COc1ccc(N(CCC(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is JVDCJNSELGEBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-17-6-11-22(18(2)15-17)31(27,28)25(19-7-9-20(29-3)10-8-19)13-12-23(26)24-16-21-5-4-14-30-21/h4-11,14-15H,12-13,16H2,1-3H3,(H,24,26).
What are the key properties of 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide?
3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 442.54 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 34238896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).