methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate

C15H15NO3S — CID 2808343

IUPACmethyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(C)cc2)csc1C
InChIInChI=1S/C15H15NO3S/c1-9-4-6-11(7-5-9)14(17)16-12-8-20-10(2)13(12)15(18)19-3/h4-8H,1-3H3,(H,16,17)
InChIKeyQESSUXRKIAMOIU-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.40
Rot. Bonds3

About methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate

methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate (PubChem CID 2808343) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
PubChem CID2808343
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(C)cc2)csc1C
InChIInChI=1S/C15H15NO3S/c1-9-4-6-11(7-5-9)14(17)16-12-8-20-10(2)13(12)15(18)19-3/h4-8H,1-3H3,(H,16,17)
InChIKeyQESSUXRKIAMOIU-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate (CID 2808343) is methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccc(C)cc2)csc1C.
What is the InChIKey of methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is QESSUXRKIAMOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-9-4-6-11(7-5-9)14(17)16-12-8-20-10(2)13(12)15(18)19-3/h4-8H,1-3H3,(H,16,17).
What are the key properties of methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 2808343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).