2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide

C14H20BrClN2OS — CID 102828964

IUPAC2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide
SMILESNC(=O)CC1(CC(N)c2cc(Br)c(Cl)s2)CCCCC1
InChIInChI=1S/C14H20BrClN2OS/c15-9-6-11(20-13(9)16)10(17)7-14(8-12(18)19)4-2-1-3-5-14/h6,10H,1-5,7-8,17H2,(H2,18,19)
InChIKeyKAZLMCGCDZCXOC-UHFFFAOYSA-N
MW379.75 g/mol
LogP4.38
Rot. Bonds5

About 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide

2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide (PubChem CID 102828964) has the molecular formula C14H20BrClN2OS and a molecular weight of 379.75 g/mol. Its IUPAC name is 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide
PubChem CID102828964
Molecular FormulaC14H20BrClN2OS
Molecular Weight379.75 g/mol
Exact Mass378.02
IUPAC Name2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide
SMILESNC(=O)CC1(CC(N)c2cc(Br)c(Cl)s2)CCCCC1
InChIInChI=1S/C14H20BrClN2OS/c15-9-6-11(20-13(9)16)10(17)7-14(8-12(18)19)4-2-1-3-5-14/h6,10H,1-5,7-8,17H2,(H2,18,19)
InChIKeyKAZLMCGCDZCXOC-UHFFFAOYSA-N
XLogP4.38
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.75
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclopentyl]acetate
CID 102828971
2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide
CID 102828933
methyl 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetate
CID 102828927
(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide
CID 102841382
methyl 2-[1-[2-amino-2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetate
CID 80532193
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine
CID 102828089
2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide
CID 81049292
methyl 3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoate
CID 102841350
methyl 2-[1-[2-amino-2-(5-bromothiophen-2-yl)ethyl]cyclopentyl]acetate
CID 61104186
2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide
CID 60862171
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
CID 102828032
5-amino-5-(4-bromo-5-chlorothiophen-2-yl)-3-methylpentanoic acid
CID 102828955

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide (CID 102828964) is 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide is NC(=O)CC1(CC(N)c2cc(Br)c(Cl)s2)CCCCC1.
What is the InChIKey of 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide?
The InChIKey is KAZLMCGCDZCXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2OS/c15-9-6-11(20-13(9)16)10(17)7-14(8-12(18)19)4-2-1-3-5-14/h6,10H,1-5,7-8,17H2,(H2,18,19).
What are the key properties of 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide?
2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide has a molecular weight of 379.75 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 102828964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).