ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate

C14H11Cl2NO3S — CID 7166980

IUPACethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl2NO3S/c1-2-20-14(19)11-3-4-21-13(11)17-12(18)8-5-9(15)7-10(16)6-8/h3-7H,2H2,1H3,(H,17,18)
InChIKeyOXXWGDVUOAUTJU-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.48
Rot. Bonds4

About ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate

ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate (PubChem CID 7166980) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate
PubChem CID7166980
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Nameethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl2NO3S/c1-2-20-14(19)11-3-4-21-13(11)17-12(18)8-5-9(15)7-10(16)6-8/h3-7H,2H2,1H3,(H,17,18)
InChIKeyOXXWGDVUOAUTJU-UHFFFAOYSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166979
ethyl 2-[[4-(chloromethyl)benzoyl]amino]thiophene-3-carboxylate
CID 43167895
ethyl 2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 7164073
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-[(3-butoxybenzoyl)amino]thiophene-3-carboxylate
CID 7166948
ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 7166930
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate
CID 8718221
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
CID 62838371

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate (CID 7166980) is ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is OXXWGDVUOAUTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-2-20-14(19)11-3-4-21-13(11)17-12(18)8-5-9(15)7-10(16)6-8/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate?
ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 344.22 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 7166980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).