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

C17H18N2O5S — CID 1071060

IUPACmethyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(C)=O)sc(C(=O)Nc2ccccc2OC)c1C
InChIInChI=1S/C17H18N2O5S/c1-9-13(17(22)24-4)16(18-10(2)20)25-14(9)15(21)19-11-7-5-6-8-12(11)23-3/h5-8H,1-4H3,(H,18,20)(H,19,21)
InChIKeyYRLRVLCBGPJHRM-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.06
Rot. Bonds5

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

methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (PubChem CID 1071060) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
PubChem CID1071060
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(C)=O)sc(C(=O)Nc2ccccc2OC)c1C
InChIInChI=1S/C17H18N2O5S/c1-9-13(17(22)24-4)16(18-10(2)20)25-14(9)15(21)19-11-7-5-6-8-12(11)23-3/h5-8H,1-4H3,(H,18,20)(H,19,21)
InChIKeyYRLRVLCBGPJHRM-UHFFFAOYSA-N
XLogP3.06
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (CID 1071060) is methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is COC(=O)c1c(NC(C)=O)sc(C(=O)Nc2ccccc2OC)c1C.
What is the InChIKey of methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The InChIKey is YRLRVLCBGPJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-9-13(17(22)24-4)16(18-10(2)20)25-14(9)15(21)19-11-7-5-6-8-12(11)23-3/h5-8H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 1071060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).