methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride

C15H17Cl2NO2S — CID 67172929

IUPACmethyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride
SMILESCCNC(C(=O)OC)(c1cccs1)c1ccccc1Cl.Cl
InChIInChI=1S/C15H16ClNO2S.ClH/c1-3-17-15(14(18)19-2,13-9-6-10-20-13)11-7-4-5-8-12(11)16;/h4-10,17H,3H2,1-2H3;1H
InChIKeyWDPIPZMXRCCIKC-UHFFFAOYSA-N
MW346.28 g/mol
LogP3.85
Rot. Bonds5

About methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride

methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride (PubChem CID 67172929) has the molecular formula C15H17Cl2NO2S and a molecular weight of 346.28 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride
PubChem CID67172929
Molecular FormulaC15H17Cl2NO2S
Molecular Weight346.28 g/mol
Exact Mass345.04
IUPAC Namemethyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride
SMILESCCNC(C(=O)OC)(c1cccs1)c1ccccc1Cl.Cl
InChIInChI=1S/C15H16ClNO2S.ClH/c1-3-17-15(14(18)19-2,13-9-6-10-20-13)11-7-4-5-8-12(11)16;/h4-10,17H,3H2,1-2H3;1H
InChIKeyWDPIPZMXRCCIKC-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride (CID 67172929) is methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride is CCNC(C(=O)OC)(c1cccs1)c1ccccc1Cl.Cl.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride?
The InChIKey is WDPIPZMXRCCIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S.ClH/c1-3-17-15(14(18)19-2,13-9-6-10-20-13)11-7-4-5-8-12(11)16;/h4-10,17H,3H2,1-2H3;1H.
What are the key properties of methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride?
methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride has a molecular weight of 346.28 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride is sourced from PubChem (CID 67172929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).