N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide

C16H20N2OS — CID 43297812

IUPACN-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
SMILESCC(NC(=O)CCCc1cccs1)c1ccccc1N
InChIInChI=1S/C16H20N2OS/c1-12(14-8-2-3-9-15(14)17)18-16(19)10-4-6-13-7-5-11-20-13/h2-3,5,7-9,11-12H,4,6,10,17H2,1H3,(H,18,19)
InChIKeyKJEXYXPNILAQOW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.53
Rot. Bonds6

About N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide

N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide (PubChem CID 43297812) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
PubChem CID43297812
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
SMILESCC(NC(=O)CCCc1cccs1)c1ccccc1N
InChIInChI=1S/C16H20N2OS/c1-12(14-8-2-3-9-15(14)17)18-16(19)10-4-6-13-7-5-11-20-13/h2-3,5,7-9,11-12H,4,6,10,17H2,1H3,(H,18,19)
InChIKeyKJEXYXPNILAQOW-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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

N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 51212418
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 9477807
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 112764256
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726837
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726838
N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
CID 115409895
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 96509347

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide (CID 43297812) is N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide is CC(NC(=O)CCCc1cccs1)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is KJEXYXPNILAQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(14-8-2-3-9-15(14)17)18-16(19)10-4-6-13-7-5-11-20-13/h2-3,5,7-9,11-12H,4,6,10,17H2,1H3,(H,18,19).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide?
N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 288.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 43297812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).