2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide

C27H22N2O4S — CID 2916107

IUPAC2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H22N2O4S/c1-19-8-7-9-21(16-19)29(34(31,32)22-10-3-2-4-11-22)18-27(30)28-20-14-15-24-23-12-5-6-13-25(23)33-26(24)17-20/h2-17H,18H2,1H3,(H,28,30)
InChIKeyJAXNXAZZRZLPOL-UHFFFAOYSA-N
MW470.55 g/mol
LogP5.73
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide

2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide (PubChem CID 2916107) has the molecular formula C27H22N2O4S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide
PubChem CID2916107
Molecular FormulaC27H22N2O4S
Molecular Weight470.55 g/mol
Exact Mass470.13
IUPAC Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H22N2O4S/c1-19-8-7-9-21(16-19)29(34(31,32)22-10-3-2-4-11-22)18-27(30)28-20-14-15-24-23-12-5-6-13-25(23)33-26(24)17-20/h2-17H,18H2,1H3,(H,28,30)
InChIKeyJAXNXAZZRZLPOL-UHFFFAOYSA-N
XLogP5.73
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1288293
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1337093
2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide
CID 51345177
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetamide
CID 126137622
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 3966474
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide
CID 1311149
N-(3-acetylphenyl)-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 18097238
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43879935
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide
CID 51345227
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 126271164
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28589454

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide (CID 2916107) is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide is Cc1cccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide?
The InChIKey is JAXNXAZZRZLPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4S/c1-19-8-7-9-21(16-19)29(34(31,32)22-10-3-2-4-11-22)18-27(30)28-20-14-15-24-23-12-5-6-13-25(23)33-26(24)17-20/h2-17H,18H2,1H3,(H,28,30).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide?
2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide has a molecular weight of 470.55 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide is sourced from PubChem (CID 2916107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).