methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate

C16H19NO2S — CID 62347155

IUPACmethyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate
SMILESCCc1ccc(CNc2ccc(C(=O)OC)cc2C)s1
InChIInChI=1S/C16H19NO2S/c1-4-13-6-7-14(20-13)10-17-15-8-5-12(9-11(15)2)16(18)19-3/h5-9,17H,4,10H2,1-3H3
InChIKeyUUXZMUOYVRIOJB-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.02
Rot. Bonds5

About methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate

methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate (PubChem CID 62347155) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate
PubChem CID62347155
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Namemethyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate
SMILESCCc1ccc(CNc2ccc(C(=O)OC)cc2C)s1
InChIInChI=1S/C16H19NO2S/c1-4-13-6-7-14(20-13)10-17-15-8-5-12(9-11(15)2)16(18)19-3/h5-9,17H,4,10H2,1-3H3
InChIKeyUUXZMUOYVRIOJB-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(5-chlorothiophen-2-yl)methylamino]-3-methylbenzoate
CID 43730493
methyl 4-[(4,5-dibromothiophen-2-yl)methylamino]-3-methylbenzoate
CID 102833387
methyl 2-[(5-ethylthiophen-2-yl)methylamino]-5-methylbenzoate
CID 63428059
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
methyl 5-amino-2-[(5-ethylthiophen-2-yl)methylamino]benzoate
CID 106014379
N-[(5-ethylthiophen-2-yl)methyl]-4-iodo-2-methylaniline
CID 63440748
methyl 4-[(4-bromophenyl)methylamino]-3-methylbenzoate
CID 43730509
methyl 3-methyl-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]benzoate
CID 174534695
methyl 3-bromo-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzoate
CID 106004345
methyl 4-[(3-bromothiophen-2-yl)methylamino]-3-methylbenzoate
CID 115380055
methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate
CID 43730605
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-3-methylbenzoate
CID 62121107

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate (CID 62347155) is methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate is CCc1ccc(CNc2ccc(C(=O)OC)cc2C)s1.
What is the InChIKey of methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate?
The InChIKey is UUXZMUOYVRIOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-4-13-6-7-14(20-13)10-17-15-8-5-12(9-11(15)2)16(18)19-3/h5-9,17H,4,10H2,1-3H3.
What are the key properties of methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate?
methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate has a molecular weight of 289.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate is sourced from PubChem (CID 62347155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).