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

C11H16N2O7S — CID 61243288

IUPAC2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(CCO)C(=O)O)o1
InChIInChI=1S/C11H16N2O7S/c1-13(2)21(18,19)9-4-3-8(20-9)10(15)12-7(5-6-14)11(16)17/h3-4,7,14H,5-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyNJXFORAQKVOQHL-UHFFFAOYSA-N
MW320.32 g/mol
LogP-0.90
Rot. Bonds7

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

2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid (PubChem CID 61243288) has the molecular formula C11H16N2O7S and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid
PubChem CID61243288
Molecular FormulaC11H16N2O7S
Molecular Weight320.32 g/mol
Exact Mass320.07
IUPAC Name2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(CCO)C(=O)O)o1
InChIInChI=1S/C11H16N2O7S/c1-13(2)21(18,19)9-4-3-8(20-9)10(15)12-7(5-6-14)11(16)17/h3-4,7,14H,5-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyNJXFORAQKVOQHL-UHFFFAOYSA-N
XLogP-0.90
TPSA137.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid
CID 119201090
5-(dimethylsulfamoyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 43427872
2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]butanoic acid
CID 119223928
5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-propan-2-ylfuran-2-carboxamide
CID 43573514
6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid
CID 119219853
5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide
CID 103771245
5-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 112548201
5-(dimethylsulfamoyl)-N-[(2-methylpropan-2-yl)oxy]furan-2-carboxamide
CID 82725711
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 119192017
2-[2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241802

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid (CID 61243288) is 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid is CN(C)S(=O)(=O)c1ccc(C(=O)NC(CCO)C(=O)O)o1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid?
The InChIKey is NJXFORAQKVOQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O7S/c1-13(2)21(18,19)9-4-3-8(20-9)10(15)12-7(5-6-14)11(16)17/h3-4,7,14H,5-6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid?
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid has a molecular weight of 320.32 g/mol, XLogP of -0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61243288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).