methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate

C15H16N2O3S — CID 874627

IUPACmethyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C15H16N2O3S/c1-8-6-4-5-7-10(8)17-14(18)12-9(2)11(13(16)21-12)15(19)20-3/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyMMQKQGACCKDHFT-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.99
Rot. Bonds3

About methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate

methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate (PubChem CID 874627) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
PubChem CID874627
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C15H16N2O3S/c1-8-6-4-5-7-10(8)17-14(18)12-9(2)11(13(16)21-12)15(19)20-3/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyMMQKQGACCKDHFT-UHFFFAOYSA-N
XLogP2.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate (CID 874627) is methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is COC(=O)c1c(N)sc(C(=O)Nc2ccccc2C)c1C.
What is the InChIKey of methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The InChIKey is MMQKQGACCKDHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-8-6-4-5-7-10(8)17-14(18)12-9(2)11(13(16)21-12)15(19)20-3/h4-7H,16H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is sourced from PubChem (CID 874627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).