methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium

C19H28N3O4S+ — CID 8558484

IUPACmethyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium
SMILESCc1ccc(C[NH+](C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)o1
InChIInChI=1S/C19H27N3O4S/c1-13(2)21-27(24,25)18-10-7-16(8-11-18)20-19(23)15(4)22(5)12-17-9-6-14(3)26-17/h6-11,13,15,21H,12H2,1-5H3,(H,20,23)/p+1/t15-/m1/s1
InChIKeyYCQZHZGNYARDBX-OAHLLOKOSA-O
MW394.52 g/mol
LogP1.32
Rot. Bonds8

About methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium

methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium (PubChem CID 8558484) has the molecular formula C19H28N3O4S+ and a molecular weight of 394.52 g/mol. Its IUPAC name is methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium.

Molecular Properties

Compound Namemethyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium
PubChem CID8558484
Molecular FormulaC19H28N3O4S+
Molecular Weight394.52 g/mol
Exact Mass394.18
IUPAC Namemethyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium
SMILESCc1ccc(C[NH+](C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)o1
InChIInChI=1S/C19H27N3O4S/c1-13(2)21-27(24,25)18-10-7-16(8-11-18)20-19(23)15(4)22(5)12-17-9-6-14(3)26-17/h6-11,13,15,21H,12H2,1-5H3,(H,20,23)/p+1/t15-/m1/s1
InChIKeyYCQZHZGNYARDBX-OAHLLOKOSA-O
XLogP1.32
TPSA92.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethylphenyl)methyl-methyl-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium
CID 9045884
(2-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium
CID 9356868
methyl-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]-(2-phenoxyethyl)azanium
CID 9356832
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 36706973
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
(4-chlorophenyl)methyl-methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium
CID 2657461
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide
CID 60687796
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356678

Frequently Asked Questions

What is the IUPAC name of methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium?
The IUPAC name of methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium (CID 8558484) is methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium.
What is the SMILES notation for methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium?
The canonical SMILES for methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium is Cc1ccc(C[NH+](C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)o1.
What is the InChIKey of methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium?
The InChIKey is YCQZHZGNYARDBX-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H27N3O4S/c1-13(2)21-27(24,25)18-10-7-16(8-11-18)20-19(23)15(4)22(5)12-17-9-6-14(3)26-17/h6-11,13,15,21H,12H2,1-5H3,(H,20,23)/p+1/t15-/m1/s1.
What are the key properties of methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium?
methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium has a molecular weight of 394.52 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(5-methylfuran-2-yl)methyl]-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium is sourced from PubChem (CID 8558484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).