3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide

C13H22N2OS — CID 119300986

IUPAC3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
SMILESCCC(CC)C(NC(=O)CCN)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-3-10(4-2)13(11-6-5-9-17-11)15-12(16)7-8-14/h5-6,9-10,13H,3-4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyBFBXKIJZTYSRJK-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.69
Rot. Bonds7

About 3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide

3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide (PubChem CID 119300986) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
PubChem CID119300986
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
SMILESCCC(CC)C(NC(=O)CCN)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-3-10(4-2)13(11-6-5-9-17-11)15-12(16)7-8-14/h5-6,9-10,13H,3-4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyBFBXKIJZTYSRJK-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide
CID 51966644
3-amino-N-(dithiophen-2-ylmethyl)propanamide
CID 119331298
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide
CID 94635932
2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
CID 119300993
6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
CID 54964033
3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
CID 119273511
N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 94635884
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
CID 119744636
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
CID 55904162
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
CID 63308382
4-[(2-ethyl-1-thiophen-2-ylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673032
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55984026

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide?
The IUPAC name of 3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide (CID 119300986) is 3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide?
The canonical SMILES for 3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide is CCC(CC)C(NC(=O)CCN)c1cccs1.
What is the InChIKey of 3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide?
The InChIKey is BFBXKIJZTYSRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-10(4-2)13(11-6-5-9-17-11)15-12(16)7-8-14/h5-6,9-10,13H,3-4,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide?
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide is sourced from PubChem (CID 119300986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).