2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid

C13H14BrClO3S — CID 80530829

IUPAC2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)c2cc(Cl)c(Br)s2)CCCC1
InChIInChI=1S/C13H14BrClO3S/c14-12-8(15)5-10(19-12)9(16)6-13(7-11(17)18)3-1-2-4-13/h5H,1-4,6-7H2,(H,17,18)
InChIKeyBSWGXTTVKGXUMK-UHFFFAOYSA-N
MW365.68 g/mol
LogP4.77
Rot. Bonds5

About 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 80530829) has the molecular formula C13H14BrClO3S and a molecular weight of 365.68 g/mol. Its IUPAC name is 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID80530829
Molecular FormulaC13H14BrClO3S
Molecular Weight365.68 g/mol
Exact Mass363.95
IUPAC Name2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)c2cc(Cl)c(Br)s2)CCCC1
InChIInChI=1S/C13H14BrClO3S/c14-12-8(15)5-10(19-12)9(16)6-13(7-11(17)18)3-1-2-4-13/h5H,1-4,6-7H2,(H,17,18)
InChIKeyBSWGXTTVKGXUMK-UHFFFAOYSA-N
XLogP4.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.68
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid
CID 80532221
2-[1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43804803
2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid
CID 105349518
2-[1-[2-(2,4-dichlorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 63496419
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone
CID 80531816
2-[1-[2-(5-chloro-2-methylphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004335
1-(5-bromo-4-chlorothiophen-2-yl)butan-1-one
CID 80531756
1-(5-bromo-4-chlorothiophen-2-yl)butane-1,3-dione
CID 156570528
2-[1-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004327
2-[1-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103932825
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylsulfonylethanone
CID 80531814
2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 105399247

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 80530829) is 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)c2cc(Cl)c(Br)s2)CCCC1.
What is the InChIKey of 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is BSWGXTTVKGXUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClO3S/c14-12-8(15)5-10(19-12)9(16)6-13(7-11(17)18)3-1-2-4-13/h5H,1-4,6-7H2,(H,17,18).
What are the key properties of 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 365.68 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 80530829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).