2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

C13H22N2OS — CID 79812423

IUPAC2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C13H22N2OS/c1-5-13(14,6-2)12(16)15-10(4)11-8-7-9(3)17-11/h7-8,10H,5-6,14H2,1-4H3,(H,15,16)
InChIKeyWUAHBTYVDCLICK-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.75
Rot. Bonds5

About 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (PubChem CID 79812423) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
PubChem CID79812423
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C13H22N2OS/c1-5-13(14,6-2)12(16)15-10(4)11-8-7-9(3)17-11/h7-8,10H,5-6,14H2,1-4H3,(H,15,16)
InChIKeyWUAHBTYVDCLICK-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 65269980
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 76921352
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438
3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 76921299
(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 54954200
1-(5-methylthiophen-2-yl)ethylthiourea
CID 61473975
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 55098145
ethyl 2-[1-(5-methylthiophen-2-yl)ethylamino]butanoate
CID 64668783
(2S,3S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]pentanoic acid
CID 61475897
N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
CID 61473838

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (CID 79812423) is 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is CCC(N)(CC)C(=O)NC(C)c1ccc(C)s1.
What is the InChIKey of 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The InChIKey is WUAHBTYVDCLICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-13(14,6-2)12(16)15-10(4)11-8-7-9(3)17-11/h7-8,10H,5-6,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide has a molecular weight of 254.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 79812423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).