2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid

C17H20N2O6S — CID 120528782

IUPAC2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c(C)o1
InChIInChI=1S/C17H20N2O6S/c1-10-13(9-14(25-10)26(23,24)18-4)15(20)19-12-7-5-11(6-8-12)17(2,3)16(21)22/h5-9,18H,1-4H3,(H,19,20)(H,21,22)
InChIKeyKZMLXYUOBARROV-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.11
Rot. Bonds6

About 2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid

2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid (PubChem CID 120528782) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid
PubChem CID120528782
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c(C)o1
InChIInChI=1S/C17H20N2O6S/c1-10-13(9-14(25-10)26(23,24)18-4)15(20)19-12-7-5-11(6-8-12)17(2,3)16(21)22/h5-9,18H,1-4H3,(H,19,20)(H,21,22)
InChIKeyKZMLXYUOBARROV-UHFFFAOYSA-N
XLogP2.11
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid with MolForge

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Related Compounds

2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 119254007
2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288
3-methyl-2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]butanoic acid
CID 119348380
2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 81369159
2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119253841
2-[4-[(4-methoxy-2-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253814
1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 120531056
2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 80549404
2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 120528707
N-[2-(ethylamino)ethyl]-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide
CID 119507697
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide
CID 119574590

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid (CID 120528782) is 2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid is CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c(C)o1.
What is the InChIKey of 2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid?
The InChIKey is KZMLXYUOBARROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-10-13(9-14(25-10)26(23,24)18-4)15(20)19-12-7-5-11(6-8-12)17(2,3)16(21)22/h5-9,18H,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid?
2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid has a molecular weight of 380.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 120528782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).