2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid

C18H23N3O4S — CID 18999564

IUPAC2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CC2(CNS(=O)(=O)c3cnc[nH]3)CCCC2)cc1
InChIInChI=1S/C18H23N3O4S/c22-17(23)9-14-3-5-15(6-4-14)10-18(7-1-2-8-18)12-21-26(24,25)16-11-19-13-20-16/h3-6,11,13,21H,1-2,7-10,12H2,(H,19,20)(H,22,23)
InChIKeyZPZVJSOQCMEPFY-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.12
Rot. Bonds8

About 2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid

2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid (PubChem CID 18999564) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid
PubChem CID18999564
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CC2(CNS(=O)(=O)c3cnc[nH]3)CCCC2)cc1
InChIInChI=1S/C18H23N3O4S/c22-17(23)9-14-3-5-15(6-4-14)10-18(7-1-2-8-18)12-21-26(24,25)16-11-19-13-20-16/h3-6,11,13,21H,1-2,7-10,12H2,(H,19,20)(H,22,23)
InChIKeyZPZVJSOQCMEPFY-UHFFFAOYSA-N
XLogP2.12
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid (CID 18999564) is 2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(CC2(CNS(=O)(=O)c3cnc[nH]3)CCCC2)cc1.
What is the InChIKey of 2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid?
The InChIKey is ZPZVJSOQCMEPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c22-17(23)9-14-3-5-15(6-4-14)10-18(7-1-2-8-18)12-21-26(24,25)16-11-19-13-20-16/h3-6,11,13,21H,1-2,7-10,12H2,(H,19,20)(H,22,23).
What are the key properties of 2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid?
2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid has a molecular weight of 377.47 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[(1H-imidazol-5-ylsulfonylamino)methyl]cyclopentyl]methyl]phenyl]acetic acid is sourced from PubChem (CID 18999564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).