2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide

C13H22N2OS — CID 131916129

IUPAC2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide
SMILESCCC(C(=O)NCCc1cccs1)N(C)CC
InChIInChI=1S/C13H22N2OS/c1-4-12(15(3)5-2)13(16)14-9-8-11-7-6-10-17-11/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyXIUNJJBJCXDSOI-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.14
Rot. Bonds7

About 2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide

2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 131916129) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID131916129
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide
SMILESCCC(C(=O)NCCc1cccs1)N(C)CC
InChIInChI=1S/C13H22N2OS/c1-4-12(15(3)5-2)13(16)14-9-8-11-7-6-10-17-11/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyXIUNJJBJCXDSOI-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 111750360
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115666347
N-pentan-3-yl-2-(2-thiophen-2-ylethylamino)propanamide
CID 43112690
2-methyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111350666
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 81490839
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide (CID 131916129) is 2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide is CCC(C(=O)NCCc1cccs1)N(C)CC.
What is the InChIKey of 2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is XIUNJJBJCXDSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-12(15(3)5-2)13(16)14-9-8-11-7-6-10-17-11/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,14,16).
What are the key properties of 2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide?
2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 254.40 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 131916129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).