2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid

C12H18N2O6S — CID 60832389

IUPAC2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C12H18N2O6S/c1-8(2)14(7-10(15)16)12(17)9-5-6-11(20-9)21(18,19)13(3)4/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyGGXNMKGERGVEAG-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.47
Rot. Bonds6

About 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid

2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 60832389) has the molecular formula C12H18N2O6S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID60832389
Molecular FormulaC12H18N2O6S
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC Name2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C12H18N2O6S/c1-8(2)14(7-10(15)16)12(17)9-5-6-11(20-9)21(18,19)13(3)4/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyGGXNMKGERGVEAG-UHFFFAOYSA-N
XLogP0.47
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-propan-2-ylfuran-2-carboxamide
CID 43573514
5-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 112548201
2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid
CID 119954468
5-(dimethylsulfamoyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 43427872
6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid
CID 119219853
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-(2-hydroxy-4-methylpentyl)furan-2-carboxamide
CID 103771245
2-[2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241802
5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43272665
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243288
2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
CID 60829213

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid (CID 60832389) is 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1ccc(S(=O)(=O)N(C)C)o1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is GGXNMKGERGVEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6S/c1-8(2)14(7-10(15)16)12(17)9-5-6-11(20-9)21(18,19)13(3)4/h5-6,8H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid?
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 318.35 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60832389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).