methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate

C15H15NO4S — CID 87028686

IUPACmethyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C)cc2OC)s1
InChIInChI=1S/C15H15NO4S/c1-9-4-5-10(11(8-9)19-2)16-14(17)12-6-7-13(21-12)15(18)20-3/h4-8H,1-3H3,(H,16,17)
InChIKeyONTQNRXQEVPNQO-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.10
Rot. Bonds4

About methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate

methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate (PubChem CID 87028686) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate
PubChem CID87028686
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C)cc2OC)s1
InChIInChI=1S/C15H15NO4S/c1-9-4-5-10(11(8-9)19-2)16-14(17)12-6-7-13(21-12)15(18)20-3/h4-8H,1-3H3,(H,16,17)
InChIKeyONTQNRXQEVPNQO-UHFFFAOYSA-N
XLogP3.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate (CID 87028686) is methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(C)cc2OC)s1.
What is the InChIKey of methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate?
The InChIKey is ONTQNRXQEVPNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-4-5-10(11(8-9)19-2)16-14(17)12-6-7-13(21-12)15(18)20-3/h4-8H,1-3H3,(H,16,17).
What are the key properties of methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate?
methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 87028686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).