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

C15H15NO4S2 — CID 56782821

IUPACmethyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2sccc2SC)cc1
InChIInChI=1S/C15H15NO4S2/c1-19-13(17)9-20-11-5-3-10(4-6-11)16-15(18)14-12(21-2)7-8-22-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyCMMUVIZWQNDNOJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.27
Rot. Bonds6

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

methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate (PubChem CID 56782821) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate
PubChem CID56782821
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Namemethyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2sccc2SC)cc1
InChIInChI=1S/C15H15NO4S2/c1-19-13(17)9-20-11-5-3-10(4-6-11)16-15(18)14-12(21-2)7-8-22-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyCMMUVIZWQNDNOJ-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate
CID 60789152
methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate
CID 51095429
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
methyl 2-[4-[(3-chloro-2-methylpropanoyl)amino]phenoxy]acetate
CID 62729425
methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
CID 79011577
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide
CID 60564468
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10068612
(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate
CID 59253966

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate (CID 56782821) is methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)c2sccc2SC)cc1.
What is the InChIKey of methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate?
The InChIKey is CMMUVIZWQNDNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-19-13(17)9-20-11-5-3-10(4-6-11)16-15(18)14-12(21-2)7-8-22-14/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate?
methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate has a molecular weight of 337.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 56782821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).