methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate

C15H15NO6S2 — CID 154775001

IUPACmethyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)NS(=O)(=O)c2ccc(C)s2)c1
InChIInChI=1S/C15H15NO6S2/c1-10-6-7-14(23-10)24(19,20)16-15(18)11-4-3-5-12(8-11)22-9-13(17)21-2/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeySACIDZCMAIDCLQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.73
Rot. Bonds6

About methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate

methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate (PubChem CID 154775001) has the molecular formula C15H15NO6S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate
PubChem CID154775001
Molecular FormulaC15H15NO6S2
Molecular Weight369.42 g/mol
Exact Mass369.03
IUPAC Namemethyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)NS(=O)(=O)c2ccc(C)s2)c1
InChIInChI=1S/C15H15NO6S2/c1-10-6-7-14(23-10)24(19,20)16-15(18)11-4-3-5-12(8-11)22-9-13(17)21-2/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeySACIDZCMAIDCLQ-UHFFFAOYSA-N
XLogP1.73
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate (CID 154775001) is methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate is COC(=O)COc1cccc(C(=O)NS(=O)(=O)c2ccc(C)s2)c1.
What is the InChIKey of methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate?
The InChIKey is SACIDZCMAIDCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S2/c1-10-6-7-14(23-10)24(19,20)16-15(18)11-4-3-5-12(8-11)22-9-13(17)21-2/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate?
methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate has a molecular weight of 369.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate is sourced from PubChem (CID 154775001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).