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

C20H25N3O6S — CID 3207200

IUPAC2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C20H25N3O6S/c24-19(21-12-16-6-4-10-28-16)15-23(14-17-7-5-11-29-17)20(25)13-22-30(26,27)18-8-2-1-3-9-18/h1-4,6,8-10,17,22H,5,7,11-15H2,(H,21,24)
InChIKeyLBSOJHZUGHOVSO-UHFFFAOYSA-N
MW435.50 g/mol
LogP0.88
Rot. Bonds10

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

2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3207200) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3207200
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC Name2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C20H25N3O6S/c24-19(21-12-16-6-4-10-28-16)15-23(14-17-7-5-11-29-17)20(25)13-22-30(26,27)18-8-2-1-3-9-18/h1-4,6,8-10,17,22H,5,7,11-15H2,(H,21,24)
InChIKeyLBSOJHZUGHOVSO-UHFFFAOYSA-N
XLogP0.88
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (CID 3207200) is 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is LBSOJHZUGHOVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c24-19(21-12-16-6-4-10-28-16)15-23(14-17-7-5-11-29-17)20(25)13-22-30(26,27)18-8-2-1-3-9-18/h1-4,6,8-10,17,22H,5,7,11-15H2,(H,21,24).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 435.50 g/mol, XLogP of 0.88, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3207200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).