2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide

C16H20N2OS — CID 62498546

IUPAC2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide
SMILESCCCC(NC(=O)Cc1cccc(N)c1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-2-5-14(15-8-4-9-20-15)18-16(19)11-12-6-3-7-13(17)10-12/h3-4,6-10,14H,2,5,11,17H2,1H3,(H,18,19)
InChIKeyYUNULPQSEIGYSQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.53
Rot. Bonds6

About 2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide

2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide (PubChem CID 62498546) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide
PubChem CID62498546
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide
SMILESCCCC(NC(=O)Cc1cccc(N)c1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-2-5-14(15-8-4-9-20-15)18-16(19)11-12-6-3-7-13(17)10-12/h3-4,6-10,14H,2,5,11,17H2,1H3,(H,18,19)
InChIKeyYUNULPQSEIGYSQ-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

2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62499193
2-(5-amino-2-pyridinyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 107338504
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 62816363
(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
CID 78984626
3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide
CID 115459676
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide (CID 62498546) is 2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide is CCCC(NC(=O)Cc1cccc(N)c1)c1cccs1.
What is the InChIKey of 2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide?
The InChIKey is YUNULPQSEIGYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-5-14(15-8-4-9-20-15)18-16(19)11-12-6-3-7-13(17)10-12/h3-4,6-10,14H,2,5,11,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide?
2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide 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 2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide is sourced from PubChem (CID 62498546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).