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

C20H21N3O5S2 — CID 651765

IUPAC2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C20H21N3O5S2/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/h1-11,22H,12-15H2,(H,21,24)
InChIKeyXTYFTJWGDHVCNO-UHFFFAOYSA-N
MW447.54 g/mol
LogP1.96
Rot. Bonds10

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

2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 651765) has the molecular formula C20H21N3O5S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID651765
Molecular FormulaC20H21N3O5S2
Molecular Weight447.54 g/mol
Exact Mass447.09
IUPAC Name2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C20H21N3O5S2/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/h1-11,22H,12-15H2,(H,21,24)
InChIKeyXTYFTJWGDHVCNO-UHFFFAOYSA-N
XLogP1.96
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 51.96
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-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide (CID 651765) is 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XTYFTJWGDHVCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S2/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/h1-11,22H,12-15H2,(H,21,24).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
2-(benzenesulfonamido)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 447.54 g/mol, XLogP of 1.96, 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-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 651765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).