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

C15H15NO4S — CID 27805316

IUPACmethyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C15H15NO4S/c1-19-11-5-3-4-10(8-11)9-13(17)16-12-6-7-21-14(12)15(18)20-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyAIWMKBQHMQGEJP-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.72
Rot. Bonds5

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

methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate (PubChem CID 27805316) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
PubChem CID27805316
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C15H15NO4S/c1-19-11-5-3-4-10(8-11)9-13(17)16-12-6-7-21-14(12)15(18)20-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyAIWMKBQHMQGEJP-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 896829
methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate
CID 17087369
methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate
CID 43408027
methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate
CID 43623574
methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate
CID 57388725
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
methyl 3-[(2-isoquinolin-5-ylacetyl)amino]thiophene-2-carboxylate
CID 52949817
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122443
3-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-2-carboxamide
CID 68754317
N-(4-bromo-2-ethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 80997985
2,2,2-trifluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108933536
N-(5-chloro-2-methylphenyl)-2-(3-methoxyphenyl)acetamide
CID 3576472

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate (CID 27805316) is methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Cc1cccc(OC)c1.
What is the InChIKey of methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is AIWMKBQHMQGEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-19-11-5-3-4-10(8-11)9-13(17)16-12-6-7-21-14(12)15(18)20-2/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.72, 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-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 27805316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).