methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

C19H26N2O5S — CID 120874947

IUPACmethyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H26N2O5S/c1-11(2)14-6-8-15(9-7-14)16(20)10-21-27(23,24)18-13(4)26-12(3)17(18)19(22)25-5/h6-9,11,16,21H,10,20H2,1-5H3
InChIKeyBQXCZFBNHYWGHV-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.78
Rot. Bonds7

About methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 120874947) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID120874947
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Namemethyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H26N2O5S/c1-11(2)14-6-8-15(9-7-14)16(20)10-21-27(23,24)18-13(4)26-12(3)17(18)19(22)25-5/h6-9,11,16,21H,10,20H2,1-5H3
InChIKeyBQXCZFBNHYWGHV-UHFFFAOYSA-N
XLogP2.78
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 63733358
methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119976049
methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875856
methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 64591193
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 106170343
methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875685
methyl 3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoylmethyl]benzoate
CID 119976076
4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43499054
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119975991
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119976009
4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120709297

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 120874947) is methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is BQXCZFBNHYWGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-11(2)14-6-8-15(9-7-14)16(20)10-21-27(23,24)18-13(4)26-12(3)17(18)19(22)25-5/h6-9,11,16,21H,10,20H2,1-5H3.
What are the key properties of methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 394.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 120874947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).