N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide

C17H20N2O2S — CID 17413594

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2sccc2C)c1
InChIInChI=1S/C17H20N2O2S/c1-11-5-6-12(2)14(9-11)18-15(20)10-19(4)17(21)16-13(3)7-8-22-16/h5-9H,10H2,1-4H3,(H,18,20)
InChIKeyYPMLTSGYRZAFIO-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.38
Rot. Bonds4

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide (PubChem CID 17413594) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
PubChem CID17413594
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2sccc2C)c1
InChIInChI=1S/C17H20N2O2S/c1-11-5-6-12(2)14(9-11)18-15(20)10-19(4)17(21)16-13(3)7-8-22-16/h5-9H,10H2,1-4H3,(H,18,20)
InChIKeyYPMLTSGYRZAFIO-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide (CID 17413594) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2sccc2C)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is YPMLTSGYRZAFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-5-6-12(2)14(9-11)18-15(20)10-19(4)17(21)16-13(3)7-8-22-16/h5-9H,10H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 17413594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).