4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide

C12H20N2OS — CID 81079297

IUPAC4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide
SMILESCCc1ccsc1CNC(=O)CC(C)CN
InChIInChI=1S/C12H20N2OS/c1-3-10-4-5-16-11(10)8-14-12(15)6-9(2)7-13/h4-5,9H,3,6-8,13H2,1-2H3,(H,14,15)
InChIKeySLWGVJSYNFJVMA-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.91
Rot. Bonds6

About 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide

4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide (PubChem CID 81079297) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide
PubChem CID81079297
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide
SMILESCCc1ccsc1CNC(=O)CC(C)CN
InChIInChI=1S/C12H20N2OS/c1-3-10-4-5-16-11(10)8-14-12(15)6-9(2)7-13/h4-5,9H,3,6-8,13H2,1-2H3,(H,14,15)
InChIKeySLWGVJSYNFJVMA-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
CID 81079151
N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71972313
propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate
CID 116656798
2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide
CID 81169154
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537
(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide
CID 103797879
3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 81079533
2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 114328918
4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207
(2R)-4-amino-2-[(3-ethylthiophen-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107828411
4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide
CID 115156350
4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide
CID 103156291

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide (CID 81079297) is 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide is CCc1ccsc1CNC(=O)CC(C)CN.
What is the InChIKey of 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide?
The InChIKey is SLWGVJSYNFJVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-10-4-5-16-11(10)8-14-12(15)6-9(2)7-13/h4-5,9H,3,6-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide?
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide has a molecular weight of 240.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 81079297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).