[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate

C18H18N2O8S — CID 55546945

IUPAC[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H18N2O8S/c1-12(21)13-5-7-14(8-6-13)29(25,26)20(2)10-17(23)28-11-16(22)19-18(24)15-4-3-9-27-15/h3-9H,10-11H2,1-2H3,(H,19,22,24)
InChIKeyIBICQAYZGKXQTQ-UHFFFAOYSA-N
MW422.42 g/mol
LogP0.60
Rot. Bonds8

About [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate

[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate (PubChem CID 55546945) has the molecular formula C18H18N2O8S and a molecular weight of 422.42 g/mol. Its IUPAC name is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
PubChem CID55546945
Molecular FormulaC18H18N2O8S
Molecular Weight422.42 g/mol
Exact Mass422.08
IUPAC Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H18N2O8S/c1-12(21)13-5-7-14(8-6-13)29(25,26)20(2)10-17(23)28-11-16(22)19-18(24)15-4-3-9-27-15/h3-9H,10-11H2,1-2H3,(H,19,22,24)
InChIKeyIBICQAYZGKXQTQ-UHFFFAOYSA-N
XLogP0.60
TPSA140.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 24558117
2-phenylethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55539189
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070
methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 24669701
4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 9476624
(4-fluorophenyl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 46529378
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 30824444
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 42980926
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2386619
[4-(trifluoromethyl)phenyl]methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 24669709
N-[2-[2-aminoethyl(methyl)amino]acetyl]furan-2-carboxamide
CID 62687549

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate?
The IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate (CID 55546945) is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate?
The InChIKey is IBICQAYZGKXQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O8S/c1-12(21)13-5-7-14(8-6-13)29(25,26)20(2)10-17(23)28-11-16(22)19-18(24)15-4-3-9-27-15/h3-9H,10-11H2,1-2H3,(H,19,22,24).
What are the key properties of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate?
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate has a molecular weight of 422.42 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 55546945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).