5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide

C20H26N2O5S — CID 26266371

IUPAC5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C20H26N2O5S/c1-5-22(13-18(23)21-20(2,3)4)19(24)17-12-11-15(27-17)14-28(25,26)16-9-7-6-8-10-16/h6-12H,5,13-14H2,1-4H3,(H,21,23)
InChIKeyKYGMTZPIWZJDKP-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.63
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide

5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide (PubChem CID 26266371) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide
PubChem CID26266371
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C20H26N2O5S/c1-5-22(13-18(23)21-20(2,3)4)19(24)17-12-11-15(27-17)14-28(25,26)16-9-7-6-8-10-16/h6-12H,5,13-14H2,1-4H3,(H,21,23)
InChIKeyKYGMTZPIWZJDKP-UHFFFAOYSA-N
XLogP2.63
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide (CID 26266371) is 5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide?
The InChIKey is KYGMTZPIWZJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-22(13-18(23)21-20(2,3)4)19(24)17-12-11-15(27-17)14-28(25,26)16-9-7-6-8-10-16/h6-12H,5,13-14H2,1-4H3,(H,21,23).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 26266371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).