[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate

C23H23N3O7S — CID 2630934

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)NC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C23H23N3O7S/c1-15-5-6-16(2)20(12-15)34(30,31)26-18-9-7-17(8-10-18)22(28)33-14-21(27)25-23(29)24-13-19-4-3-11-32-19/h3-12,26H,13-14H2,1-2H3,(H2,24,25,27,29)
InChIKeyGEQJNOXQEOOWFS-UHFFFAOYSA-N
MW485.52 g/mol
LogP2.88
Rot. Bonds8

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate (PubChem CID 2630934) has the molecular formula C23H23N3O7S and a molecular weight of 485.52 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
PubChem CID2630934
Molecular FormulaC23H23N3O7S
Molecular Weight485.52 g/mol
Exact Mass485.13
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)NC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C23H23N3O7S/c1-15-5-6-16(2)20(12-15)34(30,31)26-18-9-7-17(8-10-18)22(28)33-14-21(27)25-23(29)24-13-19-4-3-11-32-19/h3-12,26H,13-14H2,1-2H3,(H2,24,25,27,29)
InChIKeyGEQJNOXQEOOWFS-UHFFFAOYSA-N
XLogP2.88
TPSA143.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 24504865
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
CID 7949805
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631789
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 2626936
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504373
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 2358193
[2-(1-adamantyl)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 25040903
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 4655574
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate (CID 2630934) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)NC(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
The InChIKey is GEQJNOXQEOOWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O7S/c1-15-5-6-16(2)20(12-15)34(30,31)26-18-9-7-17(8-10-18)22(28)33-14-21(27)25-23(29)24-13-19-4-3-11-32-19/h3-12,26H,13-14H2,1-2H3,(H2,24,25,27,29).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate has a molecular weight of 485.52 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2630934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).