methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate

C20H26N2O6S — CID 55349906

IUPACmethyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C20H26N2O6S/c1-15-9-10-17(29(25,26)22-14-16-7-6-12-28-16)13-18(15)20(24)21-11-5-3-4-8-19(23)27-2/h6-7,9-10,12-13,22H,3-5,8,11,14H2,1-2H3,(H,21,24)
InChIKeyYKFFGAJSUHKOOS-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.53
Rot. Bonds11

About methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate

methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate (PubChem CID 55349906) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
PubChem CID55349906
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Namemethyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C20H26N2O6S/c1-15-9-10-17(29(25,26)22-14-16-7-6-12-28-16)13-18(15)20(24)21-11-5-3-4-8-19(23)27-2/h6-7,9-10,12-13,22H,3-5,8,11,14H2,1-2H3,(H,21,24)
InChIKeyYKFFGAJSUHKOOS-UHFFFAOYSA-N
XLogP2.53
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate with MolForge

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Related Compounds

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide
CID 30549771
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 55628988
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 38901082
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 78863657
methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
CID 43004196
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 46412122

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate?
The IUPAC name of methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate (CID 55349906) is methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate is COC(=O)CCCCCNC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C.
What is the InChIKey of methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate?
The InChIKey is YKFFGAJSUHKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-15-9-10-17(29(25,26)22-14-16-7-6-12-28-16)13-18(15)20(24)21-11-5-3-4-8-19(23)27-2/h6-7,9-10,12-13,22H,3-5,8,11,14H2,1-2H3,(H,21,24).
What are the key properties of methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate?
methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate has a molecular weight of 422.50 g/mol, XLogP of 2.53, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate is sourced from PubChem (CID 55349906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).