N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

C17H20N2O3S — CID 2450346

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(C)s1
InChIInChI=1S/C17H20N2O3S/c1-4-19(17(21)15-9-8-12(2)23-15)11-16(20)18-13-6-5-7-14(10-13)22-3/h5-10H,4,11H2,1-3H3,(H,18,20)
InChIKeyCJQBMPMOJGDNLY-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.17
Rot. Bonds6

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 2450346) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID2450346
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(C)s1
InChIInChI=1S/C17H20N2O3S/c1-4-19(17(21)15-9-8-12(2)23-15)11-16(20)18-13-6-5-7-14(10-13)22-3/h5-10H,4,11H2,1-3H3,(H,18,20)
InChIKeyCJQBMPMOJGDNLY-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 2450346) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(C)s1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is CJQBMPMOJGDNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-19(17(21)15-9-8-12(2)23-15)11-16(20)18-13-6-5-7-14(10-13)22-3/h5-10H,4,11H2,1-3H3,(H,18,20).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 2450346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).