4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide

C18H24N2OS — CID 37315774

IUPAC4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCCCN(C)c2ccccc2)sc1C
InChIInChI=1S/C18H24N2OS/c1-4-15-13-17(22-14(15)2)18(21)19-11-8-12-20(3)16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,19,21)
InChIKeyWNJKIVWUERARHG-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.88
Rot. Bonds7

About 4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide

4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide (PubChem CID 37315774) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide
PubChem CID37315774
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCCCN(C)c2ccccc2)sc1C
InChIInChI=1S/C18H24N2OS/c1-4-15-13-17(22-14(15)2)18(21)19-11-8-12-20(3)16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,19,21)
InChIKeyWNJKIVWUERARHG-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide (CID 37315774) is 4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide is CCc1cc(C(=O)NCCCN(C)c2ccccc2)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide?
The InChIKey is WNJKIVWUERARHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-4-15-13-17(22-14(15)2)18(21)19-11-8-12-20(3)16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,19,21).
What are the key properties of 4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide?
4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 37315774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).