methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate

C14H13NO4S — CID 19894835

IUPACmethyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)sc1N
InChIInChI=1S/C14H13NO4S/c1-18-9-5-3-8(4-6-9)12(16)11-7-10(13(15)20-11)14(17)19-2/h3-7H,15H2,1-2H3
InChIKeyAPQHLKBMKCPTJJ-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.36
Rot. Bonds4

About methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate

methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate (PubChem CID 19894835) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate
PubChem CID19894835
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Namemethyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)sc1N
InChIInChI=1S/C14H13NO4S/c1-18-9-5-3-8(4-6-9)12(16)11-7-10(13(15)20-11)14(17)19-2/h3-7H,15H2,1-2H3
InChIKeyAPQHLKBMKCPTJJ-UHFFFAOYSA-N
XLogP2.36
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 5-aminothiophene-2,4-dicarboxylate
CID 19982419
(5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone
CID 72735075
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
methyl 2-amino-5-methoxybenzoate
CID 13052275
(4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone
CID 154359392
methyl 4-(2-aminothiophene-3-carbonyl)benzoate
CID 59783735
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
CID 22257964
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
formic acid;methyl 4-methoxybenzoate
CID 159779883

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate (CID 19894835) is methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate is COC(=O)c1cc(C(=O)c2ccc(OC)cc2)sc1N.
What is the InChIKey of methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate?
The InChIKey is APQHLKBMKCPTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-18-9-5-3-8(4-6-9)12(16)11-7-10(13(15)20-11)14(17)19-2/h3-7H,15H2,1-2H3.
What are the key properties of methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate?
methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate is sourced from PubChem (CID 19894835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).