ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate

C9H10ClNO3S — CID 80641030

IUPACethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1sccc1Cl
InChIInChI=1S/C9H10ClNO3S/c1-2-14-7(12)5-11-9(13)8-6(10)3-4-15-8/h3-4H,2,5H2,1H3,(H,11,13)
InChIKeyTZDLMYTUHXOKDZ-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.69
Rot. Bonds4

About ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate

ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate (PubChem CID 80641030) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
PubChem CID80641030
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Nameethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1sccc1Cl
InChIInChI=1S/C9H10ClNO3S/c1-2-14-7(12)5-11-9(13)8-6(10)3-4-15-8/h3-4H,2,5H2,1H3,(H,11,13)
InChIKeyTZDLMYTUHXOKDZ-UHFFFAOYSA-N
XLogP1.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-[(3-chlorothiophene-2-carbonyl)amino]propanedioate
CID 80642748
3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 80642213
3-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-carboxamide
CID 106254396
ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate
CID 80642376
ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 80641031
methyl 2-chloro-3-[(3-chlorothiophene-2-carbonyl)amino]propanoate
CID 103492752
ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate
CID 146291401
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
ethyl 2-[[8-(3-chlorothiophene-2-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carbonyl]amino]acetate
CID 91293973
methyl 2-bromo-3-[(3-chlorothiophene-2-carbonyl)amino]propanoate
CID 103492365
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 106244209

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate (CID 80641030) is ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1sccc1Cl.
What is the InChIKey of ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate?
The InChIKey is TZDLMYTUHXOKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-2-14-7(12)5-11-9(13)8-6(10)3-4-15-8/h3-4H,2,5H2,1H3,(H,11,13).
What are the key properties of ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate?
ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate has a molecular weight of 247.70 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 80641030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).