N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide

C13H18BrNO2S — CID 115150875

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)C1CCC(O)CC1
InChIInChI=1S/C13H18BrNO2S/c14-12-6-5-11(18-12)7-8-15-13(17)9-1-3-10(16)4-2-9/h5-6,9-10,16H,1-4,7-8H2,(H,15,17)
InChIKeyMDMYQYFQMXSHMB-UHFFFAOYSA-N
MW332.26 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 115150875) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID115150875
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)C1CCC(O)CC1
InChIInChI=1S/C13H18BrNO2S/c14-12-6-5-11(18-12)7-8-15-13(17)9-1-3-10(16)4-2-9/h5-6,9-10,16H,1-4,7-8H2,(H,15,17)
InChIKeyMDMYQYFQMXSHMB-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103808336
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 113266074
1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 18154851
N-[2-(5-bromothiophen-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 18157738
N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699604
(2S,4S)-N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124677512
N-[2-[[N'-[2-(5-bromothiophen-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111863265
N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
CID 32775478
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea
CID 110933217
3-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106032628

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide (CID 115150875) is N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide is O=C(NCCc1ccc(Br)s1)C1CCC(O)CC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is MDMYQYFQMXSHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c14-12-6-5-11(18-12)7-8-15-13(17)9-1-3-10(16)4-2-9/h5-6,9-10,16H,1-4,7-8H2,(H,15,17).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 332.26 g/mol, XLogP of 2.72, 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]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 115150875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).