2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide

C23H25N3O6S — CID 3206784

IUPAC2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CN(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H25N3O6S/c1-31-19-8-5-7-18(13-19)16-26(17-22(27)24-14-20-9-6-12-32-20)23(28)15-25-33(29,30)21-10-3-2-4-11-21/h2-13,25H,14-17H2,1H3,(H,24,27)
InChIKeySVVBTSVFSSXHCF-UHFFFAOYSA-N
MW471.54 g/mol
LogP1.91
Rot. Bonds11

About 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide

2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 3206784) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID3206784
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CN(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H25N3O6S/c1-31-19-8-5-7-18(13-19)16-26(17-22(27)24-14-20-9-6-12-32-20)23(28)15-25-33(29,30)21-10-3-2-4-11-21/h2-13,25H,14-17H2,1H3,(H,24,27)
InChIKeySVVBTSVFSSXHCF-UHFFFAOYSA-N
XLogP1.91
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 3206784) is 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CN(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is SVVBTSVFSSXHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-31-19-8-5-7-18(13-19)16-26(17-22(27)24-14-20-9-6-12-32-20)23(28)15-25-33(29,30)21-10-3-2-4-11-21/h2-13,25H,14-17H2,1H3,(H,24,27).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 471.54 g/mol, XLogP of 1.91, 11 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-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3206784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).