N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide

C12H16BrNO2S — CID 110907117

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)C1(O)CCCC1
InChIInChI=1S/C12H16BrNO2S/c13-10-4-3-9(17-10)5-8-14-11(15)12(16)6-1-2-7-12/h3-4,16H,1-2,5-8H2,(H,14,15)
InChIKeyZHHSPXWJUAVFMH-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.47
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide (PubChem CID 110907117) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
PubChem CID110907117
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)C1(O)CCCC1
InChIInChI=1S/C12H16BrNO2S/c13-10-4-3-9(17-10)5-8-14-11(15)12(16)6-1-2-7-12/h3-4,16H,1-2,5-8H2,(H,14,15)
InChIKeyZHHSPXWJUAVFMH-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119699598
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120920693
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119292901
N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide
CID 104696927
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 81173121
N-[(5-ethylthiophen-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907354
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea
CID 110933217
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106042522
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111536745
N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 115150875

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide (CID 110907117) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide is O=C(NCCc1ccc(Br)s1)C1(O)CCCC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide?
The InChIKey is ZHHSPXWJUAVFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-10-4-3-9(17-10)5-8-14-11(15)12(16)6-1-2-7-12/h3-4,16H,1-2,5-8H2,(H,14,15).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110907117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).