N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide

C11H16N2O2S — CID 47366898

IUPACN-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)N(C)CC(N)=O
InChIInChI=1S/C11H16N2O2S/c1-7(2)8-4-5-16-10(8)11(15)13(3)6-9(12)14/h4-5,7H,6H2,1-3H3,(H2,12,14)
InChIKeyBKSPGFXTWRMTRZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.43
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide (PubChem CID 47366898) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide
PubChem CID47366898
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)N(C)CC(N)=O
InChIInChI=1S/C11H16N2O2S/c1-7(2)8-4-5-16-10(8)11(15)13(3)6-9(12)14/h4-5,7H,6H2,1-3H3,(H2,12,14)
InChIKeyBKSPGFXTWRMTRZ-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.43
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)-N-methyl-3-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide (CID 47366898) is N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide is CC(C)c1ccsc1C(=O)N(C)CC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide?
The InChIKey is BKSPGFXTWRMTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7(2)8-4-5-16-10(8)11(15)13(3)6-9(12)14/h4-5,7H,6H2,1-3H3,(H2,12,14).
What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.43, 4 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)-N-methyl-3-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 47366898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).