5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide

C18H20N2O3S — CID 30795869

IUPAC5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)s1
InChIInChI=1S/C18H20N2O3S/c1-10-7-11(2)17(12(3)8-10)20-16(22)9-19-18(23)15-6-5-14(24-15)13(4)21/h5-8H,9H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyDRWAZCNTUJFCJY-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.24
Rot. Bonds5

About 5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide

5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide (PubChem CID 30795869) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
PubChem CID30795869
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)s1
InChIInChI=1S/C18H20N2O3S/c1-10-7-11(2)17(12(3)8-10)20-16(22)9-19-18(23)15-6-5-14(24-15)13(4)21/h5-8H,9H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyDRWAZCNTUJFCJY-UHFFFAOYSA-N
XLogP3.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
CID 112761766
2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9089633
5-bromo-N-[1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propan-2-yl]thiophene-2-carboxamide
CID 55833804
2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713928
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
2-[(4-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51579223
4-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 51175467
4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide
CID 27782894
2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46583938
2-(ethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide
CID 8676937

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide (CID 30795869) is 5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)s1.
What is the InChIKey of 5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is DRWAZCNTUJFCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-10-7-11(2)17(12(3)8-10)20-16(22)9-19-18(23)15-6-5-14(24-15)13(4)21/h5-8H,9H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of 5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide?
5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 30795869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).