ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate

C10H11Cl2NO3S — CID 47069930

IUPACethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO3S/c1-3-16-10(15)5(2)13-9(14)6-4-7(11)17-8(6)12/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyYBLIITNFGJMZAH-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.74
Rot. Bonds4

About ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate

ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate (PubChem CID 47069930) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
PubChem CID47069930
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Nameethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO3S/c1-3-16-10(15)5(2)13-9(14)6-4-7(11)17-8(6)12/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyYBLIITNFGJMZAH-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-ethoxythiophene-3-carboxamide
CID 47129266
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 17409200
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 61343316
N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107966093
ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate
CID 75976916
2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 103628563
2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide
CID 106354736
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 107965162
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate
CID 103604563
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate (CID 47069930) is ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate?
The InChIKey is YBLIITNFGJMZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c1-3-16-10(15)5(2)13-9(14)6-4-7(11)17-8(6)12/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate?
ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate has a molecular weight of 296.18 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate is sourced from PubChem (CID 47069930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).