[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

C23H22N2O7S — CID 46664518

IUPAC[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCc1cccc(NC(=O)NC(=O)COC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C23H22N2O7S/c1-15-7-6-10-19(16(15)2)24-23(28)25-20(26)13-32-22(27)21-17(11-12-31-21)14-33(29,30)18-8-4-3-5-9-18/h3-12H,13-14H2,1-2H3,(H2,24,25,26,28)
InChIKeyIJVXATVIPKHEIS-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.38
Rot. Bonds7

About [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (PubChem CID 46664518) has the molecular formula C23H22N2O7S and a molecular weight of 470.50 g/mol. Its IUPAC name is [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
PubChem CID46664518
Molecular FormulaC23H22N2O7S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC Name[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCc1cccc(NC(=O)NC(=O)COC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C23H22N2O7S/c1-15-7-6-10-19(16(15)2)24-23(28)25-20(26)13-32-22(27)21-17(11-12-31-21)14-33(29,30)18-8-4-3-5-9-18/h3-12H,13-14H2,1-2H3,(H2,24,25,26,28)
InChIKeyIJVXATVIPKHEIS-UHFFFAOYSA-N
XLogP3.38
TPSA131.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55467341
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate
CID 30804496
3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 46664615
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466131
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55467064
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 27213210
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55999619
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 40721484
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-methoxybenzoate
CID 40762758
3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 51283759
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 9473469

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The IUPAC name of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (CID 46664518) is [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is Cc1cccc(NC(=O)NC(=O)COC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The InChIKey is IJVXATVIPKHEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O7S/c1-15-7-6-10-19(16(15)2)24-23(28)25-20(26)13-32-22(27)21-17(11-12-31-21)14-33(29,30)18-8-4-3-5-9-18/h3-12H,13-14H2,1-2H3,(H2,24,25,26,28).
What are the key properties of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate has a molecular weight of 470.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is sourced from PubChem (CID 46664518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).