2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C14H16N2OS — CID 81408318

IUPAC2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccs1
InChIInChI=1S/C14H16N2OS/c1-10(13-3-2-8-18-13)16-14(17)9-11-4-6-12(15)7-5-11/h2-8,10H,9,15H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyULICBDCNYOPRMP-SNVBAGLBSA-N
MW260.36 g/mol
LogP2.75
Rot. Bonds4

About 2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 81408318) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID81408318
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccs1
InChIInChI=1S/C14H16N2OS/c1-10(13-3-2-8-18-13)16-14(17)9-11-4-6-12(15)7-5-11/h2-8,10H,9,15H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyULICBDCNYOPRMP-SNVBAGLBSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43709161
2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 81317529
2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 79140976
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083
4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81407811
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 81383148
2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62499193
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 81408318) is 2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide is C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccs1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is ULICBDCNYOPRMP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10(13-3-2-8-18-13)16-14(17)9-11-4-6-12(15)7-5-11/h2-8,10H,9,15H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 260.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 81408318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).