methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate

C14H15NO3S — CID 142601231

IUPACmethyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
SMILESCNc1cc(-c2ccc(OC)cc2)sc1C(=O)OC
InChIInChI=1S/C14H15NO3S/c1-15-11-8-12(19-13(11)14(16)18-3)9-4-6-10(17-2)7-5-9/h4-8,15H,1-3H3
InChIKeyVEZRQHQOTYZOGD-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.25
Rot. Bonds4

About methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate

methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate (PubChem CID 142601231) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
PubChem CID142601231
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Namemethyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
SMILESCNc1cc(-c2ccc(OC)cc2)sc1C(=O)OC
InChIInChI=1S/C14H15NO3S/c1-15-11-8-12(19-13(11)14(16)18-3)9-4-6-10(17-2)7-5-9/h4-8,15H,1-3H3
InChIKeyVEZRQHQOTYZOGD-UHFFFAOYSA-N
XLogP3.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(4-methoxyphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8718962
5-(4-chlorophenyl)-3-(methylamino)thiophene-2-carboxylic acid
CID 118486195
methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate
CID 69360767
3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
CID 7131039
4-[[5-(4-chlorophenyl)-2-methoxycarbonylthiophen-3-yl]amino]-4-oxobut-2-enoic acid
CID 2814790
methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate
CID 59752386
methyl 3-amino-5-(4-iodophenyl)thiophene-2-carboxylate
CID 43155534
5-(4-methoxyphenyl)-N-methylthiophen-2-amine
CID 82073086
ethyl 5-(4-methoxyphenyl)-3-[[(3S)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate
CID 97029225
3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide
CID 155806102
(Z)-1,1,1-trifluoro-4-[(2-methoxycarbonyl-5-phenylthiophen-3-yl)amino]-4-oxobut-2-en-2-olate
CID 134095767
methyl 5-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 25058323

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate (CID 142601231) is methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate is CNc1cc(-c2ccc(OC)cc2)sc1C(=O)OC.
What is the InChIKey of methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate?
The InChIKey is VEZRQHQOTYZOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-15-11-8-12(19-13(11)14(16)18-3)9-4-6-10(17-2)7-5-9/h4-8,15H,1-3H3.
What are the key properties of methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate?
methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate is sourced from PubChem (CID 142601231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).