N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide

C11H18N2OS — CID 43400102

IUPACN-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1sccc1C
InChIInChI=1S/C11H18N2OS/c1-4-12-11(14)9(3)13-7-10-8(2)5-6-15-10/h5-6,9,13H,4,7H2,1-3H3,(H,12,14)
InChIKeyCMNYBEZUXUGMOH-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.67
Rot. Bonds5

About N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide

N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide (PubChem CID 43400102) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
PubChem CID43400102
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1sccc1C
InChIInChI=1S/C11H18N2OS/c1-4-12-11(14)9(3)13-7-10-8(2)5-6-15-10/h5-6,9,13H,4,7H2,1-3H3,(H,12,14)
InChIKeyCMNYBEZUXUGMOH-UHFFFAOYSA-N
XLogP1.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 113221911
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
CID 112726245
N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43573926
2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide
CID 78983667
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
2-[(3-methylthiophen-2-yl)methylcarbamoyl]butanoic acid
CID 115186004
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
CID 18546205
2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990
methyl (2R,3S)-3-hydroxy-2-[(3-methylthiophen-2-yl)methylamino]butanoate
CID 99793358
1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115712849
2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 43400116
N-ethyl-2-[[ethylamino-[(3-methylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111892758

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide (CID 43400102) is N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide is CCNC(=O)C(C)NCc1sccc1C.
What is the InChIKey of N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The InChIKey is CMNYBEZUXUGMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-12-11(14)9(3)13-7-10-8(2)5-6-15-10/h5-6,9,13H,4,7H2,1-3H3,(H,12,14).
What are the key properties of N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide is sourced from PubChem (CID 43400102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).