2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide

C16H20N2OS — CID 115287214

IUPAC2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide
SMILESCC(CCNC(=O)C(N)c1cccs1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12(13-6-3-2-4-7-13)9-10-18-16(19)15(17)14-8-5-11-20-14/h2-8,11-12,15H,9-10,17H2,1H3,(H,18,19)
InChIKeyGENRSAXXOJLOSD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.06
Rot. Bonds6

About 2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide

2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide (PubChem CID 115287214) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide
PubChem CID115287214
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide
SMILESCC(CCNC(=O)C(N)c1cccs1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12(13-6-3-2-4-7-13)9-10-18-16(19)15(17)14-8-5-11-20-14/h2-8,11-12,15H,9-10,17H2,1H3,(H,18,19)
InChIKeyGENRSAXXOJLOSD-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide
CID 106161199
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 113279358
2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide
CID 62987343
2-amino-N-(2-methylbutyl)-2-thiophen-2-ylacetamide
CID 115287191
2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 115287113
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
2-amino-N-(2-methoxypropyl)-2-thiophen-2-ylacetamide
CID 102695079
3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid
CID 113308017
(2R)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61273636
1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide (CID 115287214) is 2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide is CC(CCNC(=O)C(N)c1cccs1)c1ccccc1.
What is the InChIKey of 2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide?
The InChIKey is GENRSAXXOJLOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(13-6-3-2-4-7-13)9-10-18-16(19)15(17)14-8-5-11-20-14/h2-8,11-12,15H,9-10,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide?
2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide has a molecular weight of 288.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115287214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).