2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide

C21H22N2O5S — CID 1260914

IUPAC2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C21H22N2O5S/c1-15-5-6-16(2)20(12-15)23-29(25,26)19-9-7-17(8-10-19)28-14-21(24)22-13-18-4-3-11-27-18/h3-12,23H,13-14H2,1-2H3,(H,22,24)
InChIKeyODZBEPDWPRBBFT-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.39
Rot. Bonds8

About 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide

2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1260914) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
PubChem CID1260914
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C21H22N2O5S/c1-15-5-6-16(2)20(12-15)23-29(25,26)19-9-7-17(8-10-19)28-14-21(24)22-13-18-4-3-11-27-18/h3-12,23H,13-14H2,1-2H3,(H,22,24)
InChIKeyODZBEPDWPRBBFT-UHFFFAOYSA-N
XLogP3.39
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126384368
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 1241923
3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064483
N-(2,5-dimethylphenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832643
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(1-phenylethyl)acetamide
CID 4580368
N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3908573
N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3913624
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
N-[2-(furan-2-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110733528
2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 692240
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide
CID 110348322
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906343

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide (CID 1260914) is 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ODZBEPDWPRBBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-15-5-6-16(2)20(12-15)23-29(25,26)19-9-7-17(8-10-19)28-14-21(24)22-13-18-4-3-11-27-18/h3-12,23H,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide?
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 414.48 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1260914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).