ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate

C19H16ClNO2S2 — CID 2363555

IUPACethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)csc1N=Cc1ccc(C)s1
InChIInChI=1S/C19H16ClNO2S2/c1-3-23-19(22)17-15(14-6-4-5-7-16(14)20)11-24-18(17)21-10-13-9-8-12(2)25-13/h4-11H,3H2,1-2H3
InChIKeyAQOMQRSBAPGKLN-UHFFFAOYSA-N
MW389.93 g/mol
LogP6.37
Rot. Bonds5

About ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate

ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate (PubChem CID 2363555) has the molecular formula C19H16ClNO2S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate
PubChem CID2363555
Molecular FormulaC19H16ClNO2S2
Molecular Weight389.93 g/mol
Exact Mass389.03
IUPAC Nameethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)csc1N=Cc1ccc(C)s1
InChIInChI=1S/C19H16ClNO2S2/c1-3-23-19(22)17-15(14-6-4-5-7-16(14)20)11-24-18(17)21-10-13-9-8-12(2)25-13/h4-11H,3H2,1-2H3
InChIKeyAQOMQRSBAPGKLN-UHFFFAOYSA-N
XLogP6.37
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate (CID 2363555) is ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccccc2Cl)csc1N=Cc1ccc(C)s1.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate?
The InChIKey is AQOMQRSBAPGKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S2/c1-3-23-19(22)17-15(14-6-4-5-7-16(14)20)11-24-18(17)21-10-13-9-8-12(2)25-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate?
ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate has a molecular weight of 389.93 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate is sourced from PubChem (CID 2363555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).