ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate

C12H13Cl2NO3S — CID 156517523

IUPACethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)C(NC(=O)c1cc(Cl)c(Cl)s1)C1CC1
InChIInChI=1S/C12H13Cl2NO3S/c1-2-18-12(17)9(6-3-4-6)15-11(16)8-5-7(13)10(14)19-8/h5-6,9H,2-4H2,1H3,(H,15,16)
InChIKeyLBEQXIGTJIYTHC-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.13
Rot. Bonds5

About ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate

ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate (PubChem CID 156517523) has the molecular formula C12H13Cl2NO3S and a molecular weight of 322.21 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate
PubChem CID156517523
Molecular FormulaC12H13Cl2NO3S
Molecular Weight322.21 g/mol
Exact Mass321.00
IUPAC Nameethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)C(NC(=O)c1cc(Cl)c(Cl)s1)C1CC1
InChIInChI=1S/C12H13Cl2NO3S/c1-2-18-12(17)9(6-3-4-6)15-11(16)8-5-7(13)10(14)19-8/h5-6,9H,2-4H2,1H3,(H,15,16)
InChIKeyLBEQXIGTJIYTHC-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dichloro-N-pentylthiophene-2-carboxamide
CID 110190675
dimethyl (2S)-2-[(4,5-dichlorothiophene-2-carbonyl)amino]pentanedioate
CID 156517255
ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate
CID 166888479
ethyl (2S)-2-[(7-chlorothieno[2,3-c]pyridine-2-carbonyl)amino]-3-cyclohexylpropanoate
CID 166358003
ethyl 2-(cyclopentylamino)-2-cyclopropylacetate
CID 61310564
2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid
CID 120521147
ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate
CID 142714255
ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
CID 47069930
ethyl (2S)-2-(4-methylcyclohexyl)-2-[[2-(2-methylsulfonylethyl)pyrazole-3-carbonyl]amino]acetate
CID 166888498
2,2,2-trifluoroethyl (2S)-2-[(4,5-dichlorothiophene-2-carbonyl)amino]-4-methylpentanoate
CID 15753629
ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate
CID 61310739
diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]propanedioate
CID 33241351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate (CID 156517523) is ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate is CCOC(=O)C(NC(=O)c1cc(Cl)c(Cl)s1)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate?
The InChIKey is LBEQXIGTJIYTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3S/c1-2-18-12(17)9(6-3-4-6)15-11(16)8-5-7(13)10(14)19-8/h5-6,9H,2-4H2,1H3,(H,15,16).
What are the key properties of ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate?
ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate has a molecular weight of 322.21 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 156517523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).