2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate

C12H9Cl2NO3S2 — CID 169435764

IUPAC2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate
SMILESO=C(NCCOC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1
InChIInChI=1S/C12H9Cl2NO3S2/c13-9-3-1-7(19-9)11(16)15-5-6-18-12(17)8-2-4-10(14)20-8/h1-4H,5-6H2,(H,15,16)
InChIKeyKAVVLMLLQAEDPO-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.70
Rot. Bonds5

About 2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate

2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate (PubChem CID 169435764) has the molecular formula C12H9Cl2NO3S2 and a molecular weight of 350.25 g/mol. Its IUPAC name is 2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate
PubChem CID169435764
Molecular FormulaC12H9Cl2NO3S2
Molecular Weight350.25 g/mol
Exact Mass348.94
IUPAC Name2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate
SMILESO=C(NCCOC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1
InChIInChI=1S/C12H9Cl2NO3S2/c13-9-3-1-7(19-9)11(16)15-5-6-18-12(17)8-2-4-10(14)20-8/h1-4H,5-6H2,(H,15,16)
InChIKeyKAVVLMLLQAEDPO-UHFFFAOYSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(5-chlorothiophene-2-carbonyl)amino]-1,1,2,2-tetradeuterioethyl] 5-chlorothiophene-2-carboxylate
CID 171379624
5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide
CID 103877510
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 9392714
5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 46632667
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide
CID 90500681
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
5-chloro-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17173387
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 71787678
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146659

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate?
The IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate (CID 169435764) is 2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for 2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate?
The canonical SMILES for 2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate is O=C(NCCOC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate?
The InChIKey is KAVVLMLLQAEDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3S2/c13-9-3-1-7(19-9)11(16)15-5-6-18-12(17)8-2-4-10(14)20-8/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate?
2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate has a molecular weight of 350.25 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 169435764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).