2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide

C22H24N2O5S — CID 1108097

IUPAC2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O5S/c1-3-28-19-10-12-21(13-11-19)30(26,27)24(18-8-6-17(2)7-9-18)16-22(25)23-15-20-5-4-14-29-20/h4-14H,3,15-16H2,1-2H3,(H,23,25)
InChIKeySPZUQYJGTJUIKK-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.50
Rot. Bonds9

About 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide

2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 1108097) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID1108097
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O5S/c1-3-28-19-10-12-21(13-11-19)30(26,27)24(18-8-6-17(2)7-9-18)16-22(25)23-15-20-5-4-14-29-20/h4-14H,3,15-16H2,1-2H3,(H,23,25)
InChIKeySPZUQYJGTJUIKK-UHFFFAOYSA-N
XLogP3.50
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1202350
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 1318703
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306762
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 5020790
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide
CID 53279122
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43894339
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30227920
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229072
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 43896762
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344954

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide (CID 1108097) is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SPZUQYJGTJUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-3-28-19-10-12-21(13-11-19)30(26,27)24(18-8-6-17(2)7-9-18)16-22(25)23-15-20-5-4-14-29-20/h4-14H,3,15-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide?
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 428.51 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1108097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).