methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate

C11H14ClNO3S — CID 103403990

IUPACmethyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1scc(C)c1Cl
InChIInChI=1S/C11H14ClNO3S/c1-4-13(5-8(14)16-3)11(15)10-9(12)7(2)6-17-10/h6H,4-5H2,1-3H3
InChIKeyXFIFJXJNMKEDIA-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate

methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate (PubChem CID 103403990) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate
PubChem CID103403990
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Namemethyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1scc(C)c1Cl
InChIInChI=1S/C11H14ClNO3S/c1-4-13(5-8(14)16-3)11(15)10-9(12)7(2)6-17-10/h6H,4-5H2,1-3H3
InChIKeyXFIFJXJNMKEDIA-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide
CID 103406170
N-butyl-3-chloro-N-(2-chloroethyl)-4-methylthiophene-2-carboxamide
CID 103405838
N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide
CID 103399805
N-(2-bromoethyl)-N-butyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405901
methyl 2-[[3-(3-aminoprop-1-ynyl)thiophene-2-carbonyl]-ethylamino]acetate
CID 63801626
methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate
CID 61383603
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
3-chloro-4-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 103403010
3-chloro-N-ethyl-4-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]thiophene-2-carboxamide
CID 164637014
methyl 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetate
CID 103826884
methyl 2-[ethyl-[3-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]amino]acetate
CID 63798000

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate (CID 103403990) is methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)c1scc(C)c1Cl.
What is the InChIKey of methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate?
The InChIKey is XFIFJXJNMKEDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-4-13(5-8(14)16-3)11(15)10-9(12)7(2)6-17-10/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate?
methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate has a molecular weight of 275.76 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-4-methylthiophene-2-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 103403990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).