ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate

C15H22BrNO2S — CID 61346829

IUPACethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate
SMILESCCOC(=O)C(NC1CCCCCC1)c1ccc(Br)s1
InChIInChI=1S/C15H22BrNO2S/c1-2-19-15(18)14(12-9-10-13(16)20-12)17-11-7-5-3-4-6-8-11/h9-11,14,17H,2-8H2,1H3
InChIKeyLORVGTCRGKRDQS-UHFFFAOYSA-N
MW360.32 g/mol
LogP4.43
Rot. Bonds5

About ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate

ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate (PubChem CID 61346829) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate
PubChem CID61346829
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Nameethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate
SMILESCCOC(=O)C(NC1CCCCCC1)c1ccc(Br)s1
InChIInChI=1S/C15H22BrNO2S/c1-2-19-15(18)14(12-9-10-13(16)20-12)17-11-7-5-3-4-6-8-11/h9-11,14,17H,2-8H2,1H3
InChIKeyLORVGTCRGKRDQS-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
CID 61345599
methyl 2-(cyclopentylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345405
ethyl 2-(4-bromo-3-fluorophenyl)-2-(cyclohexylamino)acetate
CID 81431210
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
2-(cycloheptylamino)-2-(5-ethylthiophen-2-yl)acetamide
CID 62345928
1-(5-bromothiophen-2-yl)-N-cycloheptylethane-1,2-diamine
CID 65380337
ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate
CID 60998047
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
CID 113373043
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61345197
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60998655
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate?
The IUPAC name of ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate (CID 61346829) is ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate.
What is the SMILES notation for ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate?
The canonical SMILES for ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate is CCOC(=O)C(NC1CCCCCC1)c1ccc(Br)s1.
What is the InChIKey of ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate?
The InChIKey is LORVGTCRGKRDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-2-19-15(18)14(12-9-10-13(16)20-12)17-11-7-5-3-4-6-8-11/h9-11,14,17H,2-8H2,1H3.
What are the key properties of ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate?
ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate has a molecular weight of 360.32 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate is sourced from PubChem (CID 61346829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).