[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

C22H19N3O8S4 — CID 25038628

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1)NCc1ccco1
InChIInChI=1S/C22H19N3O8S4/c26-19(23-13-18-4-1-7-32-18)14-33-22(27)15-10-16(24-36(28,29)20-5-2-8-34-20)12-17(11-15)25-37(30,31)21-6-3-9-35-21/h1-12,24-25H,13-14H2,(H,23,26)
InChIKeyQTVNDAJTAHQZQR-UHFFFAOYSA-N
MW581.68 g/mol
LogP3.48
Rot. Bonds11

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 25038628) has the molecular formula C22H19N3O8S4 and a molecular weight of 581.68 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
PubChem CID25038628
Molecular FormulaC22H19N3O8S4
Molecular Weight581.68 g/mol
Exact Mass581.01
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1)NCc1ccco1
InChIInChI=1S/C22H19N3O8S4/c26-19(23-13-18-4-1-7-32-18)14-33-22(27)15-10-16(24-36(28,29)20-5-2-8-34-20)12-17(11-15)25-37(30,31)21-6-3-9-35-21/h1-12,24-25H,13-14H2,(H,23,26)
InChIKeyQTVNDAJTAHQZQR-UHFFFAOYSA-N
XLogP3.48
TPSA160.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.68
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 2358193
[2-(3,5-dichloroanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25039023
N-(furan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 38254401
(3,3-dimethyl-2-oxobutyl) 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25037570
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25037277
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25046514
N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 2386135
methyl 3-[(butanoylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate
CID 118755819
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25036748
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2347107
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2352929

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate (CID 25038628) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate is O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is QTVNDAJTAHQZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O8S4/c26-19(23-13-18-4-1-7-32-18)14-33-22(27)15-10-16(24-36(28,29)20-5-2-8-34-20)12-17(11-15)25-37(30,31)21-6-3-9-35-21/h1-12,24-25H,13-14H2,(H,23,26).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 581.68 g/mol, XLogP of 3.48, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 25038628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).