methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate

C14H12BrNO4S — CID 60789152

IUPACmethyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2sccc2Br)cc1
InChIInChI=1S/C14H12BrNO4S/c1-19-12(17)8-20-10-4-2-9(3-5-10)16-14(18)13-11(15)6-7-21-13/h2-7H,8H2,1H3,(H,16,18)
InChIKeyGICSXHGSHJYQDQ-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.31
Rot. Bonds5

About methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate

methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate (PubChem CID 60789152) has the molecular formula C14H12BrNO4S and a molecular weight of 370.22 g/mol. Its IUPAC name is methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate
PubChem CID60789152
Molecular FormulaC14H12BrNO4S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Namemethyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2sccc2Br)cc1
InChIInChI=1S/C14H12BrNO4S/c1-19-12(17)8-20-10-4-2-9(3-5-10)16-14(18)13-11(15)6-7-21-13/h2-7H,8H2,1H3,(H,16,18)
InChIKeyGICSXHGSHJYQDQ-UHFFFAOYSA-N
XLogP3.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate
CID 56782821
methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate
CID 51095429
methyl 2-[4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]phenoxy]acetate
CID 122207546
3-bromo-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 77007126
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3-bromo-N-[4-(diethoxyphosphorylmethyl)phenyl]thiophene-2-carboxamide
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N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
CID 63797635
1-(3-bromothiophen-2-yl)-2-(4-methylsulfonylphenoxy)ethanone
CID 43803922
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
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3-bromo-N-(6-fluoro-3-pyridinyl)thiophene-2-carboxamide
CID 103789932
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CID 47284512

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate (CID 60789152) is methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)c2sccc2Br)cc1.
What is the InChIKey of methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate?
The InChIKey is GICSXHGSHJYQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S/c1-19-12(17)8-20-10-4-2-9(3-5-10)16-14(18)13-11(15)6-7-21-13/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate?
methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate has a molecular weight of 370.22 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 60789152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).