2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid

C14H14N2O6S — CID 138042642

IUPAC2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid
SMILESCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)O)c2)o1
InChIInChI=1S/C14H14N2O6S/c1-9-5-6-12(22-9)14(19)16-10-3-2-4-11(7-10)23(20,21)15-8-13(17)18/h2-7,15H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeySTJMKPPCNDCLCB-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.20
Rot. Bonds6

About 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid

2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid (PubChem CID 138042642) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid
PubChem CID138042642
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid
SMILESCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)O)c2)o1
InChIInChI=1S/C14H14N2O6S/c1-9-5-6-12(22-9)14(19)16-10-3-2-4-11(7-10)23(20,21)15-8-13(17)18/h2-7,15H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeySTJMKPPCNDCLCB-UHFFFAOYSA-N
XLogP1.20
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide
CID 28776681
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
2-[[3-[[1-(difluoromethyl)cyclobutanecarbonyl]amino]phenyl]sulfonylamino]acetic acid
CID 167864572
5-methyl-N-(3-propoxyphenyl)furan-2-carboxamide
CID 2260679
N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047643
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
CID 155946485
methyl 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]methylsulfanyl]acetate
CID 167770282
2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid
CID 14457729
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
2-[[3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]sulfonylamino]acetic acid
CID 136554253
2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 103791548

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid (CID 138042642) is 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid is Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)O)c2)o1.
What is the InChIKey of 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid?
The InChIKey is STJMKPPCNDCLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-9-5-6-12(22-9)14(19)16-10-3-2-4-11(7-10)23(20,21)15-8-13(17)18/h2-7,15H,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid?
2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid has a molecular weight of 338.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 138042642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).