methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate

C14H14ClNO2S — CID 43439198

IUPACmethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO2S/c1-9(12-7-8-13(15)19-12)16-11-6-4-3-5-10(11)14(17)18-2/h3-9,16H,1-2H3
InChIKeyKAOCOFQXJVZOIO-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.36
Rot. Bonds4

About methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate

methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate (PubChem CID 43439198) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
PubChem CID43439198
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Namemethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO2S/c1-9(12-7-8-13(15)19-12)16-11-6-4-3-5-10(11)14(17)18-2/h3-9,16H,1-2H3
InChIKeyKAOCOFQXJVZOIO-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide
CID 113332730
methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate
CID 43714447
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
CID 43381990
methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
CID 43321995
methyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322026
3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide
CID 43735355
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
methyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]benzoate
CID 107705419
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991837
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423794
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 43438953

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate?
The IUPAC name of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate (CID 43439198) is methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate.
What is the SMILES notation for methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate?
The canonical SMILES for methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate is COC(=O)c1ccccc1NC(C)c1ccc(Cl)s1.
What is the InChIKey of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate?
The InChIKey is KAOCOFQXJVZOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-9(12-7-8-13(15)19-12)16-11-6-4-3-5-10(11)14(17)18-2/h3-9,16H,1-2H3.
What are the key properties of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate?
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate has a molecular weight of 295.79 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate is sourced from PubChem (CID 43439198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).