2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide

C20H20N2O5S — CID 1085670

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H20N2O5S/c1-2-26-15-9-11-17(12-10-15)28(24,25)22-19-8-4-3-7-18(19)20(23)21-14-16-6-5-13-27-16/h3-13,22H,2,14H2,1H3,(H,21,23)
InChIKeyZBCZVYPNVVAGAO-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.41
Rot. Bonds8

About 2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide

2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1085670) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID1085670
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H20N2O5S/c1-2-26-15-9-11-17(12-10-15)28(24,25)22-19-8-4-3-7-18(19)20(23)21-14-16-6-5-13-27-16/h3-13,22H,2,14H2,1H3,(H,21,23)
InChIKeyZBCZVYPNVVAGAO-UHFFFAOYSA-N
XLogP3.41
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide (CID 1085670) is 2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ZBCZVYPNVVAGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-2-26-15-9-11-17(12-10-15)28(24,25)22-19-8-4-3-7-18(19)20(23)21-14-16-6-5-13-27-16/h3-13,22H,2,14H2,1H3,(H,21,23).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 400.46 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1085670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).