ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate

C13H22N2O5S — CID 119983242

IUPACethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC(CN)CC(C)C)o1
InChIInChI=1S/C13H22N2O5S/c1-4-19-13(16)11-5-6-12(20-11)21(17,18)15-10(8-14)7-9(2)3/h5-6,9-10,15H,4,7-8,14H2,1-3H3
InChIKeyXEFNIRQOYOWZBN-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.11
Rot. Bonds8

About ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate

ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate (PubChem CID 119983242) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate
PubChem CID119983242
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Nameethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC(CN)CC(C)C)o1
InChIInChI=1S/C13H22N2O5S/c1-4-19-13(16)11-5-6-12(20-11)21(17,18)15-10(8-14)7-9(2)3/h5-6,9-10,15H,4,7-8,14H2,1-3H3
InChIKeyXEFNIRQOYOWZBN-UHFFFAOYSA-N
XLogP1.11
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120664749
5-ethoxycarbonylfuran-2-sulfonate
CID 3837677
ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate
CID 122141670
ethyl 5-(piperidin-4-ylsulfamoyl)furan-2-carboxylate
CID 119960606
methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
CID 119986857
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride
CID 120717695
ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
CID 120582735
methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate
CID 119983230
ethyl 5-(piperidin-3-ylsulfamoyl)furan-2-carboxylate
CID 119964317
methyl 4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-3-chlorobenzoate
CID 119983276
N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
CID 119983421

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate (CID 119983242) is ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)NC(CN)CC(C)C)o1.
What is the InChIKey of ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate?
The InChIKey is XEFNIRQOYOWZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-4-19-13(16)11-5-6-12(20-11)21(17,18)15-10(8-14)7-9(2)3/h5-6,9-10,15H,4,7-8,14H2,1-3H3.
What are the key properties of ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate?
ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate has a molecular weight of 318.40 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate is sourced from PubChem (CID 119983242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).