2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid

C16H18N2O7S — CID 119255846

IUPAC2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OCC(=O)O)cc2)o1
InChIInChI=1S/C16H18N2O7S/c1-17-26(22,23)15-7-6-13(25-15)16(21)18-9-8-11-2-4-12(5-3-11)24-10-14(19)20/h2-7,17H,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeySEXRJOMYJSEJAZ-UHFFFAOYSA-N
MW382.39 g/mol
LogP0.62
Rot. Bonds9

About 2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid

2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid (PubChem CID 119255846) has the molecular formula C16H18N2O7S and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid
PubChem CID119255846
Molecular FormulaC16H18N2O7S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Name2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OCC(=O)O)cc2)o1
InChIInChI=1S/C16H18N2O7S/c1-17-26(22,23)15-7-6-13(25-15)16(21)18-9-8-11-2-4-12(5-3-11)24-10-14(19)20/h2-7,17H,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeySEXRJOMYJSEJAZ-UHFFFAOYSA-N
XLogP0.62
TPSA134.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255862
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[4-[2-[(4,5-diethylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120688153
5-(methylsulfamoyl)-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 39898259
N-[2-(ethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119509422
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide
CID 112527770
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid
CID 62033918
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid (CID 119255846) is 2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid is CNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OCC(=O)O)cc2)o1.
What is the InChIKey of 2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid?
The InChIKey is SEXRJOMYJSEJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O7S/c1-17-26(22,23)15-7-6-13(25-15)16(21)18-9-8-11-2-4-12(5-3-11)24-10-14(19)20/h2-7,17H,8-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid has a molecular weight of 382.39 g/mol, XLogP of 0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).