3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide

C17H22N2OS — CID 104502284

IUPAC3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCN(Cc1cccs1)C(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C17H22N2OS/c1-3-19(12-16-5-4-10-21-16)17(20)11-13(2)14-6-8-15(18)9-7-14/h4-10,13H,3,11-12,18H2,1-2H3
InChIKeyCREXGLBDSZVFCK-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.87
Rot. Bonds6

About 3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide

3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 104502284) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID104502284
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCN(Cc1cccs1)C(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C17H22N2OS/c1-3-19(12-16-5-4-10-21-16)17(20)11-13(2)14-6-8-15(18)9-7-14/h4-10,13H,3,11-12,18H2,1-2H3
InChIKeyCREXGLBDSZVFCK-UHFFFAOYSA-N
XLogP3.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 81087639
4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one
CID 116612699
thiophen-2-ylmethyl 3-(4-aminophenyl)butanoate
CID 104503252
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778
4-amino-N,N-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]butanamide
CID 66432298
3-[4-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438323

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide (CID 104502284) is 3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide is CCN(Cc1cccs1)C(=O)CC(C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is CREXGLBDSZVFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-19(12-16-5-4-10-21-16)17(20)11-13(2)14-6-8-15(18)9-7-14/h4-10,13H,3,11-12,18H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide?
3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 302.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 104502284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).