N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide

C13H20N2O2S — CID 47210170

IUPACN-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)N(C)CC(N)=O)cc1CC
InChIInChI=1S/C13H20N2O2S/c1-4-6-10-9(5-2)7-11(18-10)13(17)15(3)8-12(14)16/h7H,4-6,8H2,1-3H3,(H2,14,16)
InChIKeyCOHXRHQBIOMIKK-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.82
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide (PubChem CID 47210170) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide
PubChem CID47210170
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)N(C)CC(N)=O)cc1CC
InChIInChI=1S/C13H20N2O2S/c1-4-6-10-9(5-2)7-11(18-10)13(17)15(3)8-12(14)16/h7H,4-6,8H2,1-3H3,(H2,14,16)
InChIKeyCOHXRHQBIOMIKK-UHFFFAOYSA-N
XLogP1.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide (CID 47210170) is N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)N(C)CC(N)=O)cc1CC.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide?
The InChIKey is COHXRHQBIOMIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-6-10-9(5-2)7-11(18-10)13(17)15(3)8-12(14)16/h7H,4-6,8H2,1-3H3,(H2,14,16).
What are the key properties of N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide?
N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 47210170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).