2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid

C12H18N2O6S — CID 119954468

IUPAC2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC)o1
InChIInChI=1S/C12H18N2O6S/c1-4-8(2)14(7-10(15)16)12(17)9-5-6-11(20-9)21(18,19)13-3/h5-6,8,13H,4,7H2,1-3H3,(H,15,16)
InChIKeyCMOMHYPYWVIRGZ-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.51
Rot. Bonds7

About 2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid

2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 119954468) has the molecular formula C12H18N2O6S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid
PubChem CID119954468
Molecular FormulaC12H18N2O6S
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC Name2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC)o1
InChIInChI=1S/C12H18N2O6S/c1-4-8(2)14(7-10(15)16)12(17)9-5-6-11(20-9)21(18,19)13-3/h5-6,8,13H,4,7H2,1-3H3,(H,15,16)
InChIKeyCMOMHYPYWVIRGZ-UHFFFAOYSA-N
XLogP0.51
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
CID 60829213
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid
CID 60832389
2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 119954509
2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]butanoic acid
CID 119223928
2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid
CID 119954940
2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid
CID 120518391
N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
CID 119661236
N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 138998465
N-[2-(ethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119509422
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323
N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid (CID 119954468) is 2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC)o1.
What is the InChIKey of 2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is CMOMHYPYWVIRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6S/c1-4-8(2)14(7-10(15)16)12(17)9-5-6-11(20-9)21(18,19)13-3/h5-6,8,13H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid?
2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 318.35 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 119954468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).