methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate

C15H17NO3S — CID 82886296

IUPACmethyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNOCc2ccccc2)s1
InChIInChI=1S/C15H17NO3S/c1-18-15(17)9-13-7-8-14(20-13)10-16-19-11-12-5-3-2-4-6-12/h2-8,16H,9-11H2,1H3
InChIKeyOYAQEFUEVBUHHS-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.68
Rot. Bonds7

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

methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate (PubChem CID 82886296) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate
PubChem CID82886296
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Namemethyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNOCc2ccccc2)s1
InChIInChI=1S/C15H17NO3S/c1-18-15(17)9-13-7-8-14(20-13)10-16-19-11-12-5-3-2-4-6-12/h2-8,16H,9-11H2,1H3
InChIKeyOYAQEFUEVBUHHS-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]benzoic acid
CID 82886705
5-methyl-4-[(phenylmethoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254478
methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate
CID 82886709
2-[5-[(ethoxyamino)methyl]thiophen-2-yl]acetic acid
CID 82885844
methyl 2-[5-[[(2-bromophenyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894798
methyl 2-[5-[(2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894694
methyl 3-[(phenylmethoxyamino)methyl]furan-2-carboxylate
CID 82709261
methyl 2-[5-[(pentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894176
methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894379
CID 172801156
CID 172801156
5-[(phenylmethoxyamino)methyl]thiophene-3-carboxylic acid
CID 82710197

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate (CID 82886296) is methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNOCc2ccccc2)s1.
What is the InChIKey of methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate?
The InChIKey is OYAQEFUEVBUHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-18-15(17)9-13-7-8-14(20-13)10-16-19-11-12-5-3-2-4-6-12/h2-8,16H,9-11H2,1H3.
What are the key properties of methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate?
methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate has a molecular weight of 291.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82886296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).