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

C13H20N2O6S — CID 119192017

IUPAC2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)O
InChIInChI=1S/C13H20N2O6S/c1-5-8-13(2,12(17)18)14-11(16)9-6-7-10(21-9)22(19,20)15(3)4/h6-7H,5,8H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyBOWSBWYHIXKHRP-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.90
Rot. Bonds7

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

2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid (PubChem CID 119192017) has the molecular formula C13H20N2O6S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
PubChem CID119192017
Molecular FormulaC13H20N2O6S
Molecular Weight332.38 g/mol
Exact Mass332.10
IUPAC Name2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)O
InChIInChI=1S/C13H20N2O6S/c1-5-8-13(2,12(17)18)14-11(16)9-6-7-10(21-9)22(19,20)15(3)4/h6-7H,5,8H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyBOWSBWYHIXKHRP-UHFFFAOYSA-N
XLogP0.90
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid
CID 119201809
(2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid
CID 97315366
2-[4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 119254007
5-(dimethylsulfamoyl)-N-[(2-methylpropan-2-yl)oxy]furan-2-carboxamide
CID 82725711
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 43618801
2-[2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241802
5-(dimethylsulfamoyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 43427872
(2R)-2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 79009314
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 43353960
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243288
6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid
CID 119219853
4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid
CID 119201090

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid (CID 119192017) is 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)O.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid?
The InChIKey is BOWSBWYHIXKHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6S/c1-5-8-13(2,12(17)18)14-11(16)9-6-7-10(21-9)22(19,20)15(3)4/h6-7H,5,8H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid?
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid has a molecular weight of 332.38 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 119192017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).