3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide

C16H20N2OS — CID 104502469

IUPAC3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide
SMILESCC(CC(=O)NCCc1ccsc1)c1ccc(N)cc1
InChIInChI=1S/C16H20N2OS/c1-12(14-2-4-15(17)5-3-14)10-16(19)18-8-6-13-7-9-20-11-13/h2-5,7,9,11-12H,6,8,10,17H2,1H3,(H,18,19)
InChIKeyANVNCXICQYXNIL-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.18
Rot. Bonds6

About 3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide

3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide (PubChem CID 104502469) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide
PubChem CID104502469
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide
SMILESCC(CC(=O)NCCc1ccsc1)c1ccc(N)cc1
InChIInChI=1S/C16H20N2OS/c1-12(14-2-4-15(17)5-3-14)10-16(19)18-8-6-13-7-9-20-11-13/h2-5,7,9,11-12H,6,8,10,17H2,1H3,(H,18,19)
InChIKeyANVNCXICQYXNIL-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
CID 103155650
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
3-(4-aminophenyl)-N-[(4-methylthiophen-3-yl)methyl]butanamide
CID 104502837
N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527
3-(4-aminophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 104502614
3-(4-aminophenyl)-N-hex-5-ynylbutanamide
CID 106213111
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106337406

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide (CID 104502469) is 3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide is CC(CC(=O)NCCc1ccsc1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide?
The InChIKey is ANVNCXICQYXNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(14-2-4-15(17)5-3-14)10-16(19)18-8-6-13-7-9-20-11-13/h2-5,7,9,11-12H,6,8,10,17H2,1H3,(H,18,19).
What are the key properties of 3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide?
3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide has a molecular weight of 288.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide is sourced from PubChem (CID 104502469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).