N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide

C23H26N2O5S — CID 29282263

IUPACN-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)Cc2ccco2)cc1
InChIInChI=1S/C23H26N2O5S/c1-4-29-19-10-12-21(13-11-19)31(27,28)25(15-20-8-6-14-30-20)16-23(26)24-22-9-5-7-17(2)18(22)3/h5-14H,4,15-16H2,1-3H3,(H,24,26)
InChIKeyZQJFTRWGTDDEIJ-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.12
Rot. Bonds9

About N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide

N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide (PubChem CID 29282263) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
PubChem CID29282263
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC NameN-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)Cc2ccco2)cc1
InChIInChI=1S/C23H26N2O5S/c1-4-29-19-10-12-21(13-11-19)31(27,28)25(15-20-8-6-14-30-20)16-23(26)24-22-9-5-7-17(2)18(22)3/h5-14H,4,15-16H2,1-3H3,(H,24,26)
InChIKeyZQJFTRWGTDDEIJ-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 29282555
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112787957
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 29282284
N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373189
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 94847262
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 9342508
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9113169
N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 17432908
4-ethoxy-N-(furan-2-ylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 29282469
N-(5-fluoro-2-methylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9211703
N-(2-ethoxyphenyl)-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150359
2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 41154762

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide (CID 29282263) is N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)Cc2ccco2)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The InChIKey is ZQJFTRWGTDDEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-4-29-19-10-12-21(13-11-19)31(27,28)25(15-20-8-6-14-30-20)16-23(26)24-22-9-5-7-17(2)18(22)3/h5-14H,4,15-16H2,1-3H3,(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide has a molecular weight of 442.54 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 29282263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).