2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide

C16H18N2O2S — CID 887901

IUPAC2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide
SMILESCCc1ccc(-c2c(C)sc(NC(C)=O)c2C(N)=O)cc1
InChIInChI=1S/C16H18N2O2S/c1-4-11-5-7-12(8-6-11)13-9(2)21-16(18-10(3)19)14(13)15(17)20/h5-8H,4H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyGLADHDYODVPQCQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.34
Rot. Bonds4

About 2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide

2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide (PubChem CID 887901) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide
PubChem CID887901
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide
SMILESCCc1ccc(-c2c(C)sc(NC(C)=O)c2C(N)=O)cc1
InChIInChI=1S/C16H18N2O2S/c1-4-11-5-7-12(8-6-11)13-9(2)21-16(18-10(3)19)14(13)15(17)20/h5-8H,4H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyGLADHDYODVPQCQ-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide (CID 887901) is 2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide is CCc1ccc(-c2c(C)sc(NC(C)=O)c2C(N)=O)cc1.
What is the InChIKey of 2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide?
The InChIKey is GLADHDYODVPQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-4-11-5-7-12(8-6-11)13-9(2)21-16(18-10(3)19)14(13)15(17)20/h5-8H,4H2,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide?
2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-(4-ethylphenyl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 887901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).