methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate

C14H15NO3S — CID 59702062

IUPACmethyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NCc1ccc(OC)cc1
InChIInChI=1S/C14H15NO3S/c1-17-11-5-3-10(4-6-11)9-15-12-7-8-19-13(12)14(16)18-2/h3-8,15H,9H2,1-2H3
InChIKeyQRRPNOYTSRIIGC-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.16
Rot. Bonds5

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

methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate (PubChem CID 59702062) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate
PubChem CID59702062
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Namemethyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NCc1ccc(OC)cc1
InChIInChI=1S/C14H15NO3S/c1-17-11-5-3-10(4-6-11)9-15-12-7-8-19-13(12)14(16)18-2/h3-8,15H,9H2,1-2H3
InChIKeyQRRPNOYTSRIIGC-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 69175818
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 4-[(4-methoxyanilino)methyl]benzoate;hydrochloride
CID 141308228
methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate
CID 24565982
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 896829
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 27805316
methyl 3-(propylcarbamothioylamino)thiophene-2-carboxylate
CID 19655448
3-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-2-carboxamide
CID 68754317
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 175275211

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate (CID 59702062) is methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NCc1ccc(OC)cc1.
What is the InChIKey of methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate?
The InChIKey is QRRPNOYTSRIIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-17-11-5-3-10(4-6-11)9-15-12-7-8-19-13(12)14(16)18-2/h3-8,15H,9H2,1-2H3.
What are the key properties of methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate?
methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate is sourced from PubChem (CID 59702062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).