methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride

C18H25ClN2O5S — CID 119976049

IUPACmethyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(S(=O)(=O)NCC(N)c2ccc(C(C)C)cc2)oc1C.Cl
InChIInChI=1S/C18H24N2O5S.ClH/c1-11(2)13-5-7-14(8-6-13)16(19)10-20-26(22,23)17-9-15(12(3)25-17)18(21)24-4;/h5-9,11,16,20H,10,19H2,1-4H3;1H
InChIKeyTWCKXLGLAWSFFN-UHFFFAOYSA-N
MW416.93 g/mol
LogP2.90
Rot. Bonds7

About methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride

methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride (PubChem CID 119976049) has the molecular formula C18H25ClN2O5S and a molecular weight of 416.93 g/mol. Its IUPAC name is methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride
PubChem CID119976049
Molecular FormulaC18H25ClN2O5S
Molecular Weight416.93 g/mol
Exact Mass416.12
IUPAC Namemethyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(S(=O)(=O)NCC(N)c2ccc(C(C)C)cc2)oc1C.Cl
InChIInChI=1S/C18H24N2O5S.ClH/c1-11(2)13-5-7-14(8-6-13)16(19)10-20-26(22,23)17-9-15(12(3)25-17)18(21)24-4;/h5-9,11,16,20H,10,19H2,1-4H3;1H
InChIKeyTWCKXLGLAWSFFN-UHFFFAOYSA-N
XLogP2.90
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120874947
methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
CID 120715512
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119975991
methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate
CID 120715852
methyl 3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoylmethyl]benzoate
CID 119976076
methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate
CID 124687144
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid
CID 167848056
4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120709297
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119976009
3-methoxy-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]propanoic acid
CID 126803471
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-nitrobenzenesulfonamide;hydrochloride
CID 119976053

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride (CID 119976049) is methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride is COC(=O)c1cc(S(=O)(=O)NCC(N)c2ccc(C(C)C)cc2)oc1C.Cl.
What is the InChIKey of methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride?
The InChIKey is TWCKXLGLAWSFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S.ClH/c1-11(2)13-5-7-14(8-6-13)16(19)10-20-26(22,23)17-9-15(12(3)25-17)18(21)24-4;/h5-9,11,16,20H,10,19H2,1-4H3;1H.
What are the key properties of methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride?
methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride has a molecular weight of 416.93 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride is sourced from PubChem (CID 119976049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).