N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide

C17H19ClN2O2S — CID 2532766

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1sccc1C
InChIInChI=1S/C17H19ClN2O2S/c1-3-20(17(22)16-12(2)8-9-23-16)11-15(21)19-10-13-4-6-14(18)7-5-13/h4-9H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyCGNLYZJJNQKEIX-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.49
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide (PubChem CID 2532766) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
PubChem CID2532766
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1sccc1C
InChIInChI=1S/C17H19ClN2O2S/c1-3-20(17(22)16-12(2)8-9-23-16)11-15(21)19-10-13-4-6-14(18)7-5-13/h4-9H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyCGNLYZJJNQKEIX-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide (CID 2532766) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1sccc1C.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide?
The InChIKey is CGNLYZJJNQKEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-3-20(17(22)16-12(2)8-9-23-16)11-15(21)19-10-13-4-6-14(18)7-5-13/h4-9H,3,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide has a molecular weight of 350.87 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2532766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).