2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide

C16H18N2O2S — CID 917185

IUPAC2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H18N2O2S/c1-9-5-7-13(8-6-9)18-15(20)14-10(2)11(3)21-16(14)17-12(4)19/h5-8H,1-4H3,(H,17,19)(H,18,20)
InChIKeyZNRYTMFEGKNVBO-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.88
Rot. Bonds3

About 2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide

2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide (PubChem CID 917185) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide
PubChem CID917185
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H18N2O2S/c1-9-5-7-13(8-6-9)18-15(20)14-10(2)11(3)21-16(14)17-12(4)19/h5-8H,1-4H3,(H,17,19)(H,18,20)
InChIKeyZNRYTMFEGKNVBO-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.88
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-(4-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide (CID 917185) is 2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide is CC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide?
The InChIKey is ZNRYTMFEGKNVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-9-5-7-13(8-6-9)18-15(20)14-10(2)11(3)21-16(14)17-12(4)19/h5-8H,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide?
2-acetamido-4,5-dimethyl-N-(4-methylphenyl)thiophene-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.88, 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-(4-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 917185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).