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

C14H24N2OS — CID 79813438

IUPAC2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
SMILESCCC(N)(CC)C(=O)NC(C)Cc1ccc(C)s1
InChIInChI=1S/C14H24N2OS/c1-5-14(15,6-2)13(17)16-10(3)9-12-8-7-11(4)18-12/h7-8,10H,5-6,9,15H2,1-4H3,(H,16,17)
InChIKeyNEKJQSVWGXVPEB-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.62
Rot. Bonds6

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

2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide (PubChem CID 79813438) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
PubChem CID79813438
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
SMILESCCC(N)(CC)C(=O)NC(C)Cc1ccc(C)s1
InChIInChI=1S/C14H24N2OS/c1-5-14(15,6-2)13(17)16-10(3)9-12-8-7-11(4)18-12/h7-8,10H,5-6,9,15H2,1-4H3,(H,16,17)
InChIKeyNEKJQSVWGXVPEB-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120592916
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79812423
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79012678
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
CID 104903571
N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide
CID 78997668
(2R)-4-amino-2-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107828031
(2R)-3,3-dimethyl-2-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 103928081
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796744
2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 77045420

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide (CID 79813438) is 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide is CCC(N)(CC)C(=O)NC(C)Cc1ccc(C)s1.
What is the InChIKey of 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide?
The InChIKey is NEKJQSVWGXVPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-14(15,6-2)13(17)16-10(3)9-12-8-7-11(4)18-12/h7-8,10H,5-6,9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide?
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide has a molecular weight of 268.43 g/mol, XLogP of 2.62, 6 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)propan-2-yl]butanamide is sourced from PubChem (CID 79813438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).