2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide

C18H22N2O2S — CID 724942

IUPAC2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2ccccc2)sc(C)c1C
InChIInChI=1S/C18H22N2O2S/c1-5-20(6-2)18(22)15-12(3)13(4)23-17(15)19-16(21)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3,(H,19,21)
InChIKeyXARJLASQFUDACG-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.10
Rot. Bonds5

About 2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide

2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide (PubChem CID 724942) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide
PubChem CID724942
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2ccccc2)sc(C)c1C
InChIInChI=1S/C18H22N2O2S/c1-5-20(6-2)18(22)15-12(3)13(4)23-17(15)19-16(21)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3,(H,19,21)
InChIKeyXARJLASQFUDACG-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide (CID 724942) is 2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide is CCN(CC)C(=O)c1c(NC(=O)c2ccccc2)sc(C)c1C.
What is the InChIKey of 2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is XARJLASQFUDACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-5-20(6-2)18(22)15-12(3)13(4)23-17(15)19-16(21)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3,(H,19,21).
What are the key properties of 2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide?
2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N,N-diethyl-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 724942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).