methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

C15H16N2O4S — CID 2756467

IUPACmethyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(=O)Nc2ccc(OC)cc2)c1C
InChIInChI=1S/C15H16N2O4S/c1-8-11(15(19)21-3)13(16)22-12(8)14(18)17-9-4-6-10(20-2)7-5-9/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyDDSJZHGBTOXMHU-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.69
Rot. Bonds4

About methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (PubChem CID 2756467) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
PubChem CID2756467
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(=O)Nc2ccc(OC)cc2)c1C
InChIInChI=1S/C15H16N2O4S/c1-8-11(15(19)21-3)13(16)22-12(8)14(18)17-9-4-6-10(20-2)7-5-9/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyDDSJZHGBTOXMHU-UHFFFAOYSA-N
XLogP2.69
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (CID 2756467) is methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is COC(=O)c1c(N)sc(C(=O)Nc2ccc(OC)cc2)c1C.
What is the InChIKey of methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The InChIKey is DDSJZHGBTOXMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-8-11(15(19)21-3)13(16)22-12(8)14(18)17-9-4-6-10(20-2)7-5-9/h4-7H,16H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 2756467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).