2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride

C15H27ClN2OS — CID 119300993

IUPAC2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(c1cccs1)C(CC)CC.Cl
InChIInChI=1S/C15H26N2OS.ClH/c1-4-8-12(16)15(18)17-14(11(5-2)6-3)13-9-7-10-19-13;/h7,9-12,14H,4-6,8,16H2,1-3H3,(H,17,18);1H
InChIKeyVKOBRYSTFAEUSA-UHFFFAOYSA-N
MW318.91 g/mol
LogP3.89
Rot. Bonds8

About 2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride

2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride (PubChem CID 119300993) has the molecular formula C15H27ClN2OS and a molecular weight of 318.91 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
PubChem CID119300993
Molecular FormulaC15H27ClN2OS
Molecular Weight318.91 g/mol
Exact Mass318.15
IUPAC Name2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(c1cccs1)C(CC)CC.Cl
InChIInChI=1S/C15H26N2OS.ClH/c1-4-8-12(16)15(18)17-14(11(5-2)6-3)13-9-7-10-19-13;/h7,9-12,14H,4-6,8,16H2,1-3H3,(H,17,18);1H
InChIKeyVKOBRYSTFAEUSA-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.91
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide
CID 81087987
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
CID 78984626
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide
CID 51966644
4-[(2-ethyl-1-thiophen-2-ylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673032
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide
CID 94635932

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride (CID 119300993) is 2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride is CCCC(N)C(=O)NC(c1cccs1)C(CC)CC.Cl.
What is the InChIKey of 2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride?
The InChIKey is VKOBRYSTFAEUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS.ClH/c1-4-8-12(16)15(18)17-14(11(5-2)6-3)13-9-7-10-19-13;/h7,9-12,14H,4-6,8,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride?
2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride has a molecular weight of 318.91 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride is sourced from PubChem (CID 119300993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).