methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate

C15H15NO4S — CID 1266472

IUPACmethyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COc1cccc(C)c1
InChIInChI=1S/C15H15NO4S/c1-10-4-3-5-11(8-10)20-9-13(17)16-12-6-7-21-14(12)15(18)19-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyZPXBXRZFRSINAF-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.86
Rot. Bonds5

About methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate (PubChem CID 1266472) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate
PubChem CID1266472
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COc1cccc(C)c1
InChIInChI=1S/C15H15NO4S/c1-10-4-3-5-11(8-10)20-9-13(17)16-12-6-7-21-14(12)15(18)19-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyZPXBXRZFRSINAF-UHFFFAOYSA-N
XLogP2.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-Phenoxybenzoyl)amino]-2-thiophenecarboxylic acid
CID 3439320
3-[[2-(2-Chloro-4-fluorophenoxy)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 2223181
2-((3-Methoxyphenyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 2352927
Methyl 3-[(2-ethoxybenzoyl)amino]-2-thiophenecarboxylate
CID 771052
3-[[(4-Methoxyphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 844198
Methyl 3-[(3,5-dimethoxybenzoyl)amino]-2-thiophenecarboxylate
CID 5162900
Methyl 3-(2-(4-methoxyphenyl)acetamido)thiophene-2-carboxylate
CID 897877
Methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
CID 25116544
Methyl 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
CID 25116546
Methyl 3-[[2-(4-bromophenoxy)acetyl]amino]thiophene-2-carboxylate
CID 25117001
Methyl 3-({[4-(methoxycarbonyl)phenoxy]acetyl}amino)-2-thiophenecarboxylate
CID 972269
Methyl 3-{[2-(4-methylphenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 3815224

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate (CID 1266472) is methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)COc1cccc(C)c1.
What is the InChIKey of methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is ZPXBXRZFRSINAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10-4-3-5-11(8-10)20-9-13(17)16-12-6-7-21-14(12)15(18)19-2/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 1266472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).