2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid

C17H19NO5S — CID 154740064

IUPAC2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid
SMILESCc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(CC(=O)O)c2)o1
InChIInChI=1S/C17H19NO5S/c1-12-5-8-15(23-12)11-18(14-6-7-14)24(21,22)16-4-2-3-13(9-16)10-17(19)20/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,19,20)
InChIKeyJJGNTMWADJSUHH-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.57
Rot. Bonds7

About 2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid

2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid (PubChem CID 154740064) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid
PubChem CID154740064
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid
SMILESCc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(CC(=O)O)c2)o1
InChIInChI=1S/C17H19NO5S/c1-12-5-8-15(23-12)11-18(14-6-7-14)24(21,22)16-4-2-3-13(9-16)10-17(19)20/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,19,20)
InChIKeyJJGNTMWADJSUHH-UHFFFAOYSA-N
XLogP2.57
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 61059064
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3322210
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 31150760
N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 42960439
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692189
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
CID 155946485
methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 35403081
2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 60827715
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
1-N-[(2R)-butan-2-yl]-4-N-cyclopentyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-disulfonamide
CID 1176347
N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826080

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid (CID 154740064) is 2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid is Cc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(CC(=O)O)c2)o1.
What is the InChIKey of 2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid?
The InChIKey is JJGNTMWADJSUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12-5-8-15(23-12)11-18(14-6-7-14)24(21,22)16-4-2-3-13(9-16)10-17(19)20/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid?
2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid has a molecular weight of 349.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 154740064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).