2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide

C20H20N2O4S — CID 1141916

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C20H20N2O4S/c23-20(21-14-18-10-7-13-26-18)16-22(15-17-8-3-1-4-9-17)27(24,25)19-11-5-2-6-12-19/h1-13H,14-16H2,(H,21,23)
InChIKeyVAENKLONNUPSDH-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.79
Rot. Bonds8

About 2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide

2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1141916) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID1141916
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C20H20N2O4S/c23-20(21-14-18-10-7-13-26-18)16-22(15-17-8-3-1-4-9-17)27(24,25)19-11-5-2-6-12-19/h1-13H,14-16H2,(H,21,23)
InChIKeyVAENKLONNUPSDH-UHFFFAOYSA-N
XLogP2.79
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3163582
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1315730
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 17457343
4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060492
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881
2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide
CID 17481913
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 21380257

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 1141916) is 2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccco1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VAENKLONNUPSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-20(21-14-18-10-7-13-26-18)16-22(15-17-8-3-1-4-9-17)27(24,25)19-11-5-2-6-12-19/h1-13H,14-16H2,(H,21,23).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1141916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).