2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide

C11H18N2OS — CID 103630100

IUPAC2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
SMILESCCc1ccc(CNC(=O)C(C)(C)N)s1
InChIInChI=1S/C11H18N2OS/c1-4-8-5-6-9(15-8)7-13-10(14)11(2,3)12/h5-6H,4,7,12H2,1-3H3,(H,13,14)
InChIKeyOVZDGYANMXLAHL-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.66
Rot. Bonds4

About 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide

2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide (PubChem CID 103630100) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
PubChem CID103630100
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
SMILESCCc1ccc(CNC(=O)C(C)(C)N)s1
InChIInChI=1S/C11H18N2OS/c1-4-8-5-6-9(15-8)7-13-10(14)11(2,3)12/h5-6H,4,7,12H2,1-3H3,(H,13,14)
InChIKeyOVZDGYANMXLAHL-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119727869
2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 61265834
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide
CID 106011392
2-[[(5-ethylthiophen-2-yl)methylcarbamoylamino]methyl]-2-methylbutanoic acid
CID 106005588
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
2-[tert-butyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 106005579
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide
CID 106014338
N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 111336370
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide (CID 103630100) is 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide is CCc1ccc(CNC(=O)C(C)(C)N)s1.
What is the InChIKey of 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide?
The InChIKey is OVZDGYANMXLAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-8-5-6-9(15-8)7-13-10(14)11(2,3)12/h5-6H,4,7,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide?
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide has a molecular weight of 226.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 103630100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).