methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate

C15H16BrNO3S — CID 82887609

IUPACmethyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNc2cc(Br)ccc2OC)s1
InChIInChI=1S/C15H16BrNO3S/c1-19-14-6-3-10(16)7-13(14)17-9-12-5-4-11(21-12)8-15(18)20-2/h3-7,17H,8-9H2,1-2H3
InChIKeyFLFHCFLWBGGMAR-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.85
Rot. Bonds6

About methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate

methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate (PubChem CID 82887609) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate
PubChem CID82887609
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Namemethyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNc2cc(Br)ccc2OC)s1
InChIInChI=1S/C15H16BrNO3S/c1-19-14-6-3-10(16)7-13(14)17-9-12-5-4-11(21-12)8-15(18)20-2/h3-7,17H,8-9H2,1-2H3
InChIKeyFLFHCFLWBGGMAR-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
CID 61060847
methyl 2-[5-[(4-bromo-2,6-dimethylanilino)methyl]thiophen-2-yl]acetate
CID 82887380
methyl 2-[5-[(4-bromo-2,6-dichloroanilino)methyl]thiophen-2-yl]acetate
CID 82886699
methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate
CID 82887614
N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715753
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
methyl 2-[5-[(2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894694
methyl 2-[5-[(4-chloro-2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894934
methyl 2-[5-[(2,3,5-trifluoroanilino)methyl]thiophen-2-yl]acetate
CID 82887799
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]benzoic acid
CID 82886705
methyl 2-[5-[(2-chloro-4-iodoanilino)methyl]thiophen-2-yl]acetate
CID 82894492
4-[(5-bromo-2-methoxyanilino)methyl]benzamide
CID 61059474

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate (CID 82887609) is methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNc2cc(Br)ccc2OC)s1.
What is the InChIKey of methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate?
The InChIKey is FLFHCFLWBGGMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-19-14-6-3-10(16)7-13(14)17-9-12-5-4-11(21-12)8-15(18)20-2/h3-7,17H,8-9H2,1-2H3.
What are the key properties of methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate?
methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate has a molecular weight of 370.27 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82887609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).