N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide

C14H22N2O2S — CID 71972396

IUPACN-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCCc1ccsc1CNC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C14H22N2O2S/c1-5-10-6-7-19-11(10)8-15-12(17)9-16-13(18)14(2,3)4/h6-7H,5,8-9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyKRXSQHORYILPKB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.09
Rot. Bonds5

About N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 71972396) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID71972396
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCCc1ccsc1CNC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C14H22N2O2S/c1-5-10-6-7-19-11(10)8-15-12(17)9-16-13(18)14(2,3)4/h6-7H,5,8-9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyKRXSQHORYILPKB-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 71972396) is N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide is CCc1ccsc1CNC(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is KRXSQHORYILPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-5-10-6-7-19-11(10)8-15-12(17)9-16-13(18)14(2,3)4/h6-7H,5,8-9H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 282.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71972396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).