methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate

C15H18N2O5S — CID 120715512

IUPACmethyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccc(N)cc2)oc1C
InChIInChI=1S/C15H18N2O5S/c1-10-13(15(18)21-2)9-14(22-10)23(19,20)17-8-7-11-3-5-12(16)6-4-11/h3-6,9,17H,7-8,16H2,1-2H3
InChIKeyWXKHCCGSIWRBFN-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.48
Rot. Bonds6

About methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate

methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate (PubChem CID 120715512) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
PubChem CID120715512
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Namemethyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccc(N)cc2)oc1C
InChIInChI=1S/C15H18N2O5S/c1-10-13(15(18)21-2)9-14(22-10)23(19,20)17-8-7-11-3-5-12(16)6-4-11/h3-6,9,17H,7-8,16H2,1-2H3
InChIKeyWXKHCCGSIWRBFN-UHFFFAOYSA-N
XLogP1.48
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate
CID 120715852
methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119976049
methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate
CID 146090438
methyl 2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)furan-3-carboxylate
CID 119994394
ethyl 3-[2-(4-aminophenyl)ethylsulfamoyl]-4-methylbenzoate;hydrochloride
CID 120715587
methyl 5-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 43219136
(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid
CID 167848056
methyl 5-[2-[4-(3,4-difluorophenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoate
CID 11959212
methyl 5-amino-2-(propylsulfamoyl)benzoate
CID 113402800
methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate
CID 102930876
3-methoxy-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]propanoic acid
CID 126803471
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate (CID 120715512) is methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCc2ccc(N)cc2)oc1C.
What is the InChIKey of methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate?
The InChIKey is WXKHCCGSIWRBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-10-13(15(18)21-2)9-14(22-10)23(19,20)17-8-7-11-3-5-12(16)6-4-11/h3-6,9,17H,7-8,16H2,1-2H3.
What are the key properties of methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate?
methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 120715512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).