2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid

C16H18N2O7S — CID 119255862

IUPAC2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCc1oc(C(=O)NCCc2ccc(OCC(=O)O)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C16H18N2O7S/c1-10-14(26(17,22)23)8-13(25-10)16(21)18-7-6-11-2-4-12(5-3-11)24-9-15(19)20/h2-5,8H,6-7,9H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyVSTUFFAKQJIAEN-UHFFFAOYSA-N
MW382.39 g/mol
LogP0.67
Rot. Bonds8

About 2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid

2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid (PubChem CID 119255862) has the molecular formula C16H18N2O7S and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
PubChem CID119255862
Molecular FormulaC16H18N2O7S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Name2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCc1oc(C(=O)NCCc2ccc(OCC(=O)O)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C16H18N2O7S/c1-10-14(26(17,22)23)8-13(25-10)16(21)18-7-6-11-2-4-12(5-3-11)24-9-15(19)20/h2-5,8H,6-7,9H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyVSTUFFAKQJIAEN-UHFFFAOYSA-N
XLogP0.67
TPSA148.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-[(4,5-diethylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120688153
2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255846
5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 115688805
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
CID 115491569
2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 120528979
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255833
2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255550
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
2-[4-[2-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255997

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid (CID 119255862) is 2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid is Cc1oc(C(=O)NCCc2ccc(OCC(=O)O)cc2)cc1S(N)(=O)=O.
What is the InChIKey of 2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid?
The InChIKey is VSTUFFAKQJIAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O7S/c1-10-14(26(17,22)23)8-13(25-10)16(21)18-7-6-11-2-4-12(5-3-11)24-9-15(19)20/h2-5,8H,6-7,9H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23).
What are the key properties of 2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid has a molecular weight of 382.39 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).