ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate

C10H11Cl2NO3S — CID 146291401

IUPACethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1sc(Cl)c(Cl)c1C
InChIInChI=1S/C10H11Cl2NO3S/c1-3-16-6(14)4-13-10(15)8-5(2)7(11)9(12)17-8/h3-4H2,1-2H3,(H,13,15)
InChIKeyZVHOULIVKUXFGI-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.66
Rot. Bonds4

About ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate

ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 146291401) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate
PubChem CID146291401
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Nameethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1sc(Cl)c(Cl)c1C
InChIInChI=1S/C10H11Cl2NO3S/c1-3-16-6(14)4-13-10(15)8-5(2)7(11)9(12)17-8/h3-4H2,1-2H3,(H,13,15)
InChIKeyZVHOULIVKUXFGI-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
CID 80641030
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
ethyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetate
CID 47257222
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
CID 139749941
5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid
CID 141154699
ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
CID 60728044
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
ethyl 2-[(1-chloro-4-hydroxy-[1]benzothiolo[3,2-c]pyridine-3-carbonyl)amino]acetate
CID 58128822

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate (CID 146291401) is ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1sc(Cl)c(Cl)c1C.
What is the InChIKey of ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is ZVHOULIVKUXFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c1-3-16-6(14)4-13-10(15)8-5(2)7(11)9(12)17-8/h3-4H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate?
ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 296.18 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 146291401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).