methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate

C11H13Cl2NO3S — CID 103644943

IUPACmethyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-3-4-14(6-9(15)17-2)11(16)7-5-8(12)18-10(7)13/h5H,3-4,6H2,1-2H3
InChIKeyCLDKRHLDQZKIKC-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.08
Rot. Bonds5

About methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate

methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate (PubChem CID 103644943) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
PubChem CID103644943
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Namemethyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-3-4-14(6-9(15)17-2)11(16)7-5-8(12)18-10(7)13/h5H,3-4,6H2,1-2H3
InChIKeyCLDKRHLDQZKIKC-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642
methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
CID 106491024
methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate
CID 61109430
1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 62053273
methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate
CID 21283503
methyl 2-[(5-hydroxy-2-nitrobenzoyl)-propylamino]acetate
CID 102741632
methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate
CID 104626674
methyl 2-[(4-amino-3-methoxybenzoyl)-propylamino]acetate
CID 104782582
1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948907
methyl 2-[(2-fluoro-5-nitrobenzoyl)-propylamino]acetate
CID 61050888
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate
CID 55005954

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate (CID 103644943) is methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate?
The InChIKey is CLDKRHLDQZKIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c1-3-4-14(6-9(15)17-2)11(16)7-5-8(12)18-10(7)13/h5H,3-4,6H2,1-2H3.
What are the key properties of methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate?
methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate has a molecular weight of 310.20 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate is sourced from PubChem (CID 103644943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).