ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate

C12H16ClNO3S — CID 80641031

IUPACethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1sccc1Cl)C(C)C
InChIInChI=1S/C12H16ClNO3S/c1-4-17-10(15)7-14(8(2)3)12(16)11-9(13)5-6-18-11/h5-6,8H,4,7H2,1-3H3
InChIKeyQUDINCVWLICPLX-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.82
Rot. Bonds5

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

ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate (PubChem CID 80641031) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
PubChem CID80641031
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Nameethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1sccc1Cl)C(C)C
InChIInChI=1S/C12H16ClNO3S/c1-4-17-10(15)7-14(8(2)3)12(16)11-9(13)5-6-18-11/h5-6,8H,4,7H2,1-3H3
InChIKeyQUDINCVWLICPLX-UHFFFAOYSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
CID 54896878
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668
ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
CID 80641030
ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate
CID 80642376
ethyl 2-[(2-chloro-5-methylsulfanylbenzoyl)-propan-2-ylamino]acetate
CID 61022655
4-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]butanoic acid
CID 80644849
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 19778949
ethyl 2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]-propan-2-ylamino]acetate
CID 61022184
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
CID 54901193
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate (CID 80641031) is ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1sccc1Cl)C(C)C.
What is the InChIKey of ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is QUDINCVWLICPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-4-17-10(15)7-14(8(2)3)12(16)11-9(13)5-6-18-11/h5-6,8H,4,7H2,1-3H3.
What are the key properties of ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate?
ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 289.78 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 80641031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).