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

C15H16ClNO2S — CID 62111155

IUPACmethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate
SMILESCOC(=O)C(NC(C)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H16ClNO2S/c1-10(12-8-9-13(16)20-12)17-14(15(18)19-2)11-6-4-3-5-7-11/h3-10,14,17H,1-2H3
InChIKeyVZOMKHKOJHACHP-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.97
Rot. Bonds5

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

methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate (PubChem CID 62111155) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate
PubChem CID62111155
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Namemethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate
SMILESCOC(=O)C(NC(C)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H16ClNO2S/c1-10(12-8-9-13(16)20-12)17-14(15(18)19-2)11-6-4-3-5-7-11/h3-10,14,17H,1-2H3
InChIKeyVZOMKHKOJHACHP-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685388
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 63324335
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide
CID 103875860
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine
CID 43734683
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43692482
(4S)-4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-4-phenylbutan-1-ol
CID 97322792
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053
(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81375983

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate (CID 62111155) is methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate is COC(=O)C(NC(C)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate?
The InChIKey is VZOMKHKOJHACHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10(12-8-9-13(16)20-12)17-14(15(18)19-2)11-6-4-3-5-7-11/h3-10,14,17H,1-2H3.
What are the key properties of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate?
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate has a molecular weight of 309.82 g/mol, XLogP of 3.97, 5 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]-2-phenylacetate is sourced from PubChem (CID 62111155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).