2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide

C22H23N3O5S — CID 3207208

IUPAC2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESO=C(CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C22H23N3O5S/c26-21(23-14-19-10-7-13-30-19)17-25(16-18-8-3-1-4-9-18)22(27)15-24-31(28,29)20-11-5-2-6-12-20/h1-13,24H,14-17H2,(H,23,26)
InChIKeyBLAVWRJLOODICB-UHFFFAOYSA-N
MW441.51 g/mol
LogP1.90
Rot. Bonds10

About 2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide

2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (PubChem CID 3207208) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
PubChem CID3207208
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESO=C(CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C22H23N3O5S/c26-21(23-14-19-10-7-13-30-19)17-25(16-18-8-3-1-4-9-18)22(27)15-24-31(28,29)20-11-5-2-6-12-20/h1-13,24H,14-17H2,(H,23,26)
InChIKeyBLAVWRJLOODICB-UHFFFAOYSA-N
XLogP1.90
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (CID 3207208) is 2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is O=C(CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1.
What is the InChIKey of 2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The InChIKey is BLAVWRJLOODICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c26-21(23-14-19-10-7-13-30-19)17-25(16-18-8-3-1-4-9-18)22(27)15-24-31(28,29)20-11-5-2-6-12-20/h1-13,24H,14-17H2,(H,23,26).
What are the key properties of 2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 1.90, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 3207208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).