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

C17H17NO4S — CID 51095429

IUPACmethyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2sccc2C2CC2)cc1
InChIInChI=1S/C17H17NO4S/c1-21-15(19)10-22-13-6-4-12(5-7-13)18-17(20)16-14(8-9-23-16)11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H,18,20)
InChIKeyXAGDWYHUAGUFQB-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.43
Rot. Bonds6

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

methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate (PubChem CID 51095429) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate
PubChem CID51095429
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Namemethyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2sccc2C2CC2)cc1
InChIInChI=1S/C17H17NO4S/c1-21-15(19)10-22-13-6-4-12(5-7-13)18-17(20)16-14(8-9-23-16)11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H,18,20)
InChIKeyXAGDWYHUAGUFQB-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate
CID 60789152
methyl 2-[4-[(3-methylsulfanylthiophene-2-carbonyl)amino]phenoxy]acetate
CID 56782821
3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 51095402
3-cyclopropyl-N-methylthiophene-2-carboxamide
CID 130634247
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate
CID 15391223
methyl 2-[4-(cyclooctylamino)phenoxy]acetate
CID 43676794
methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate
CID 55962259
methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate
CID 51983589
methyl 2-[4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]phenoxy]acetate
CID 122207546
3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide
CID 154748631
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate (CID 51095429) is methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)c2sccc2C2CC2)cc1.
What is the InChIKey of methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate?
The InChIKey is XAGDWYHUAGUFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-21-15(19)10-22-13-6-4-12(5-7-13)18-17(20)16-14(8-9-23-16)11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H,18,20).
What are the key properties of methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate?
methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate has a molecular weight of 331.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 51095429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).