4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide

C11H18N2OS — CID 60842051

IUPAC4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
SMILESCNCCCC(=O)NC(C)c1cccs1
InChIInChI=1S/C11H18N2OS/c1-9(10-5-4-8-15-10)13-11(14)6-3-7-12-2/h4-5,8-9,12H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyPSHAZUAHUVYVGB-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.92
Rot. Bonds6

About 4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide

4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide (PubChem CID 60842051) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
PubChem CID60842051
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
SMILESCNCCCC(=O)NC(C)c1cccs1
InChIInChI=1S/C11H18N2OS/c1-9(10-5-4-8-15-10)13-11(14)6-3-7-12-2/h4-5,8-9,12H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyPSHAZUAHUVYVGB-UHFFFAOYSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
methyl 3-[4-(methylamino)butanoylamino]-3-thiophen-2-ylpropanoate
CID 54925162
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
CID 61258454
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083
3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408603
4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
CID 112766186
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
tert-butyl 4-oxo-4-(1-thiophen-2-ylethylamino)butanoate
CID 106707023
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide (CID 60842051) is 4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide is CNCCCC(=O)NC(C)c1cccs1.
What is the InChIKey of 4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide?
The InChIKey is PSHAZUAHUVYVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(10-5-4-8-15-10)13-11(14)6-3-7-12-2/h4-5,8-9,12H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide?
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide has a molecular weight of 226.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 60842051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).