methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate

C15H15NO3S — CID 51083291

IUPACmethyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N(C)Cc2ccsc2)c1
InChIInChI=1S/C15H15NO3S/c1-16(9-11-6-7-20-10-11)14(17)12-4-3-5-13(8-12)15(18)19-2/h3-8,10H,9H2,1-2H3
InChIKeyCEKNNAFIZCTSKQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.81
Rot. Bonds4

About methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate

methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate (PubChem CID 51083291) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate
PubChem CID51083291
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N(C)Cc2ccsc2)c1
InChIInChI=1S/C15H15NO3S/c1-16(9-11-6-7-20-10-11)14(17)12-4-3-5-13(8-12)15(18)19-2/h3-8,10H,9H2,1-2H3
InChIKeyCEKNNAFIZCTSKQ-UHFFFAOYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate?
The IUPAC name of methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate (CID 51083291) is methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate?
The canonical SMILES for methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate is COC(=O)c1cccc(C(=O)N(C)Cc2ccsc2)c1.
What is the InChIKey of methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate?
The InChIKey is CEKNNAFIZCTSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-16(9-11-6-7-20-10-11)14(17)12-4-3-5-13(8-12)15(18)19-2/h3-8,10H,9H2,1-2H3.
What are the key properties of methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate?
methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate has a molecular weight of 289.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(thiophen-3-ylmethyl)carbamoyl]benzoate is sourced from PubChem (CID 51083291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).