2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid

C11H16N2O6S — CID 119346496

IUPAC2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H16N2O6S/c1-7-8(11(16)13(4)6-9(14)15)5-10(19-7)20(17,18)12(2)3/h5H,6H2,1-4H3,(H,14,15)
InChIKeyIVANWTUWQOKUDP-UHFFFAOYSA-N
MW304.32 g/mol
LogP-0.01
Rot. Bonds5

About 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid

2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid (PubChem CID 119346496) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid
PubChem CID119346496
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H16N2O6S/c1-7-8(11(16)13(4)6-9(14)15)5-10(19-7)20(17,18)12(2)3/h5H,6H2,1-4H3,(H,14,15)
InChIKeyIVANWTUWQOKUDP-UHFFFAOYSA-N
XLogP-0.01
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-methyl-5-(piperidinosulfonyl)-3-furamide
CID 2809633
(2,5-Dimethylfuran-3-yl)[4-(phenylsulfonyl)piperazin-1-yl]methanone
CID 7661823
N-butyl-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide
CID 2809674
5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 71974103
4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide
CID 97016364
N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide
CID 71974082
2-[(2,5-Dimethylfuran-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990637
1-[5-(Dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 120202395
N-(3-amino-2,2-difluoropropyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride
CID 120408084
N-(3-amino-2,2-difluoropropyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide
CID 120408085
N-(3-amino-2,2-difluoropropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride
CID 120411143
N-(3-amino-2,2-difluoropropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide
CID 120411144

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid (CID 119346496) is 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid is Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid?
The InChIKey is IVANWTUWQOKUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-7-8(11(16)13(4)6-9(14)15)5-10(19-7)20(17,18)12(2)3/h5H,6H2,1-4H3,(H,14,15).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid?
2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid has a molecular weight of 304.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 119346496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).