2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide

C12H18N2O2S — CID 748651

IUPAC2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)NC(C)C
InChIInChI=1S/C12H18N2O2S/c1-6(2)13-11(16)10-7(3)8(4)17-12(10)14-9(5)15/h6H,1-5H3,(H,13,16)(H,14,15)
InChIKeyHKCITZWNNAITBH-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.46
Rot. Bonds3

About 2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide

2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 748651) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide
PubChem CID748651
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)NC(C)C
InChIInChI=1S/C12H18N2O2S/c1-6(2)13-11(16)10-7(3)8(4)17-12(10)14-9(5)15/h6H,1-5H3,(H,13,16)(H,14,15)
InChIKeyHKCITZWNNAITBH-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide (CID 748651) is 2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide is CC(=O)Nc1sc(C)c(C)c1C(=O)NC(C)C.
What is the InChIKey of 2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is HKCITZWNNAITBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-6(2)13-11(16)10-7(3)8(4)17-12(10)14-9(5)15/h6H,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide?
2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4,5-dimethyl-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 748651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).