2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide

C21H22N2O4S — CID 4787933

IUPAC2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H22N2O4S/c1-16-8-10-18(11-9-16)22-21(24)15-23(14-19-6-4-12-27-19)28(25,26)20-7-3-5-17(2)13-20/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyFREHDRQBZQPELR-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.73
Rot. Bonds7

About 2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide

2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide (PubChem CID 4787933) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
PubChem CID4787933
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H22N2O4S/c1-16-8-10-18(11-9-16)22-21(24)15-23(14-19-6-4-12-27-19)28(25,26)20-7-3-5-17(2)13-20/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyFREHDRQBZQPELR-UHFFFAOYSA-N
XLogP3.73
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 29282284
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24567615
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6256260
N-(5-fluoro-2-methylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9211703
2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 25498286
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
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
2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
CID 3202218
N-(3-chlorophenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 2459887
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide (CID 4787933) is 2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is FREHDRQBZQPELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-16-8-10-18(11-9-16)22-21(24)15-23(14-19-6-4-12-27-19)28(25,26)20-7-3-5-17(2)13-20/h3-13H,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide?
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 398.48 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4787933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).