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

C17H20N2O6S — CID 119201090

IUPAC4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(CCC(=O)O)c2ccccc2)o1
InChIInChI=1S/C17H20N2O6S/c1-19(2)26(23,24)16-11-9-14(25-16)17(22)18-13(8-10-15(20)21)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyZJLINCYNIHQDOI-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.87
Rot. Bonds8

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

4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid (PubChem CID 119201090) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid
PubChem CID119201090
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(CCC(=O)O)c2ccccc2)o1
InChIInChI=1S/C17H20N2O6S/c1-19(2)26(23,24)16-11-9-14(25-16)17(22)18-13(8-10-15(20)21)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyZJLINCYNIHQDOI-UHFFFAOYSA-N
XLogP1.87
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243288
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
6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid
CID 119219853
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid
CID 119201809
4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid
CID 75383586
5-(dimethylsulfamoyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 43427872
4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid
CID 61455733
5-(dimethylsulfamoyl)-N-[(2-methylpropan-2-yl)oxy]furan-2-carboxamide
CID 82725711
2-[2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241802
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 119192017
4-[(5-bromo-3-methylfuran-2-carbonyl)amino]-4-phenylbutanoic acid
CID 119201012

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid (CID 119201090) is 4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid is CN(C)S(=O)(=O)c1ccc(C(=O)NC(CCC(=O)O)c2ccccc2)o1.
What is the InChIKey of 4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid?
The InChIKey is ZJLINCYNIHQDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-19(2)26(23,24)16-11-9-14(25-16)17(22)18-13(8-10-15(20)21)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid?
4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid has a molecular weight of 380.42 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).