N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide

C15H16N2O4S — CID 934503

IUPACN-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)CNC(=O)c2cccs2)c1
InChIInChI=1S/C15H16N2O4S/c1-20-10-5-6-12(21-2)11(8-10)17-14(18)9-16-15(19)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHKGKGQGXSQXNGJ-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 934503) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID934503
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)CNC(=O)c2cccs2)c1
InChIInChI=1S/C15H16N2O4S/c1-20-10-5-6-12(21-2)11(8-10)17-14(18)9-16-15(19)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHKGKGQGXSQXNGJ-UHFFFAOYSA-N
XLogP2.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 934503) is N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(OC)c(NC(=O)CNC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is HKGKGQGXSQXNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-10-5-6-12(21-2)11(8-10)17-14(18)9-16-15(19)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 934503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).