2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid

C19H23NO5S — CID 18999610

IUPAC2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CC2(CNS(=O)(=O)c3ccco3)CCCC2)cc1
InChIInChI=1S/C19H23NO5S/c21-17(22)12-15-5-7-16(8-6-15)13-19(9-1-2-10-19)14-20-26(23,24)18-4-3-11-25-18/h3-8,11,20H,1-2,9-10,12-14H2,(H,21,22)
InChIKeyYZJDOTKKPDUYMN-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.99
Rot. Bonds8

About 2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid

2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid (PubChem CID 18999610) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid
PubChem CID18999610
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CC2(CNS(=O)(=O)c3ccco3)CCCC2)cc1
InChIInChI=1S/C19H23NO5S/c21-17(22)12-15-5-7-16(8-6-15)13-19(9-1-2-10-19)14-20-26(23,24)18-4-3-11-25-18/h3-8,11,20H,1-2,9-10,12-14H2,(H,21,22)
InChIKeyYZJDOTKKPDUYMN-UHFFFAOYSA-N
XLogP2.99
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid (CID 18999610) is 2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(CC2(CNS(=O)(=O)c3ccco3)CCCC2)cc1.
What is the InChIKey of 2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid?
The InChIKey is YZJDOTKKPDUYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c21-17(22)12-15-5-7-16(8-6-15)13-19(9-1-2-10-19)14-20-26(23,24)18-4-3-11-25-18/h3-8,11,20H,1-2,9-10,12-14H2,(H,21,22).
What are the key properties of 2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid?
2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid has a molecular weight of 377.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[(furan-2-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid is sourced from PubChem (CID 18999610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).