2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid

C17H20N2O6S — CID 119254007

IUPAC2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)o1
InChIInChI=1S/C17H20N2O6S/c1-17(2,16(21)22)11-5-7-12(8-6-11)18-15(20)13-9-10-14(25-13)26(23,24)19(3)4/h5-10H,1-4H3,(H,18,20)(H,21,22)
InChIKeyZWYMBXJCMLFHHM-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.14
Rot. Bonds6

About 2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid

2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 119254007) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID119254007
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)o1
InChIInChI=1S/C17H20N2O6S/c1-17(2,16(21)22)11-5-7-12(8-6-11)18-15(20)13-9-10-14(25-13)26(23,24)19(3)4/h5-10H,1-4H3,(H,18,20)(H,21,22)
InChIKeyZWYMBXJCMLFHHM-UHFFFAOYSA-N
XLogP2.14
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-[(2-methylpropan-2-yl)oxy]furan-2-carboxamide
CID 82725711
2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid
CID 120528782
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 119192017
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid
CID 119201809
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 43353960
(2R)-2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 79009314
5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
CID 154858775
2-[2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241802
N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide
CID 155412686
2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 81369159
5-(dimethylsulfamoyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 43427872
2-[4-[[4-(ethylsulfanylmethyl)benzoyl]amino]phenyl]-2-methylpropanoic acid
CID 119253809

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid (CID 119254007) is 2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)o1.
What is the InChIKey of 2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is ZWYMBXJCMLFHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-17(2,16(21)22)11-5-7-12(8-6-11)18-15(20)13-9-10-14(25-13)26(23,24)19(3)4/h5-10H,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 380.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 119254007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).