methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate

C10H13BrClNO3S — CID 102841044

IUPACmethyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate
SMILESCOCCNC(C(=O)OC)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H13BrClNO3S/c1-15-4-3-13-8(10(14)16-2)7-5-6(11)9(12)17-7/h5,8,13H,3-4H2,1-2H3
InChIKeyMPPNGLVECNDASX-UHFFFAOYSA-N
MW342.64 g/mol
LogP2.61
Rot. Bonds6

About methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate

methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate (PubChem CID 102841044) has the molecular formula C10H13BrClNO3S and a molecular weight of 342.64 g/mol. Its IUPAC name is methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate
PubChem CID102841044
Molecular FormulaC10H13BrClNO3S
Molecular Weight342.64 g/mol
Exact Mass340.95
IUPAC Namemethyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate
SMILESCOCCNC(C(=O)OC)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H13BrClNO3S/c1-15-4-3-13-8(10(14)16-2)7-5-6(11)9(12)17-7/h5,8,13H,3-4H2,1-2H3
InChIKeyMPPNGLVECNDASX-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate
CID 102840732
methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
CID 102840677
2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid
CID 102841052
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(cycloheptylamino)acetate
CID 102840978
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83229954
methyl 3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoate
CID 102841350
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide
CID 102840263
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
CID 83229877
2-(2-bromo-5-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 66155462
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62540494
methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 62540496

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate?
The IUPAC name of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate (CID 102841044) is methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate.
What is the SMILES notation for methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate?
The canonical SMILES for methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate is COCCNC(C(=O)OC)c1cc(Br)c(Cl)s1.
What is the InChIKey of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate?
The InChIKey is MPPNGLVECNDASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S/c1-15-4-3-13-8(10(14)16-2)7-5-6(11)9(12)17-7/h5,8,13H,3-4H2,1-2H3.
What are the key properties of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate?
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate has a molecular weight of 342.64 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 102841044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).