ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate

C16H18ClNO2S — CID 62345223

IUPACethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(Cl)c1)c1ccc(CC)s1
InChIInChI=1S/C16H18ClNO2S/c1-3-13-8-9-14(21-13)15(16(19)20-4-2)18-12-7-5-6-11(17)10-12/h5-10,15,18H,3-4H2,1-2H3
InChIKeyLGXPDHIYVOHJOV-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.68
Rot. Bonds6

About ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate

ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate (PubChem CID 62345223) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate
PubChem CID62345223
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Nameethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(Cl)c1)c1ccc(CC)s1
InChIInChI=1S/C16H18ClNO2S/c1-3-13-8-9-14(21-13)15(16(19)20-4-2)18-12-7-5-6-11(17)10-12/h5-10,15,18H,3-4H2,1-2H3
InChIKeyLGXPDHIYVOHJOV-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124321
ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770636
2-(5-ethylthiophen-2-yl)-2-(3-fluoroanilino)acetic acid
CID 62346648
ethyl 2-(3-chloroanilino)-3-methylbutanoate
CID 61317893
N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide
CID 106011028
ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345226
diethyl 2-[(3-chlorophenyl)carbamoylamino]propanedioate
CID 110495007
ethyl 2-(3-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116502017
2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid
CID 62345224
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
CID 60991921
methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate
CID 62346114
methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate
CID 62347183

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate?
The IUPAC name of ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate (CID 62345223) is ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate is CCOC(=O)C(Nc1cccc(Cl)c1)c1ccc(CC)s1.
What is the InChIKey of ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate?
The InChIKey is LGXPDHIYVOHJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-3-13-8-9-14(21-13)15(16(19)20-4-2)18-12-7-5-6-11(17)10-12/h5-10,15,18H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate?
ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate has a molecular weight of 323.85 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate is sourced from PubChem (CID 62345223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).