ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate

C11H13Cl2NO3S — CID 103604563

IUPACethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-2-17-9(15)4-3-5-14-11(16)7-6-8(12)18-10(7)13/h6H,2-5H2,1H3,(H,14,16)
InChIKeyUGXCEGZSHJSEAE-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.13
Rot. Bonds6

About ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate

ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate (PubChem CID 103604563) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate
PubChem CID103604563
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Nameethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-2-17-9(15)4-3-5-14-11(16)7-6-8(12)18-10(7)13/h6H,2-5H2,1H3,(H,14,16)
InChIKeyUGXCEGZSHJSEAE-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829
ethyl 4-[(2,5-dichlorobenzoyl)amino]butanoate
CID 60637290
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
ethyl 4-[(3-chloro-2-fluorobenzoyl)amino]butanoate
CID 80979995
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
ethyl 4-[(3-chloro-5-methylbenzoyl)amino]butanoate
CID 80980209
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
CID 64576957
ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
CID 60637607
ethyl 4-[(4-fluoro-2-methylbenzoyl)amino]butanoate
CID 112702353
ethyl 7-[(2-bromo-5-chlorobenzoyl)amino]heptanoate
CID 78901898
ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate (CID 103604563) is ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate?
The InChIKey is UGXCEGZSHJSEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c1-2-17-9(15)4-3-5-14-11(16)7-6-8(12)18-10(7)13/h6H,2-5H2,1H3,(H,14,16).
What are the key properties of ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate?
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate has a molecular weight of 310.20 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate is sourced from PubChem (CID 103604563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).