3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide

C17H22N2OS — CID 80526634

IUPAC3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide
SMILESCC(C)(CNC(=O)C(CN)c1ccccc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-17(2,15-9-6-10-21-15)12-19-16(20)14(11-18)13-7-4-3-5-8-13/h3-10,14H,11-12,18H2,1-2H3,(H,19,20)
InChIKeyZDDVSZZGXQWWEI-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.88
Rot. Bonds6

About 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide

3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide (PubChem CID 80526634) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide
PubChem CID80526634
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide
SMILESCC(C)(CNC(=O)C(CN)c1ccccc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-17(2,15-9-6-10-21-15)12-19-16(20)14(11-18)13-7-4-3-5-8-13/h3-10,14H,11-12,18H2,1-2H3,(H,19,20)
InChIKeyZDDVSZZGXQWWEI-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylacetamide
CID 80527246
3-amino-N-(2-methyl-2-phenylpropyl)-2-phenylpropanamide;hydrochloride
CID 119724299
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylbutanamide
CID 119099245
2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 81312766
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride
CID 120989918
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide
CID 66174479
2-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide;hydrochloride
CID 119787670
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide
CID 103812535

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide (CID 80526634) is 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide is CC(C)(CNC(=O)C(CN)c1ccccc1)c1cccs1.
What is the InChIKey of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide?
The InChIKey is ZDDVSZZGXQWWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,15-9-6-10-21-15)12-19-16(20)14(11-18)13-7-4-3-5-8-13/h3-10,14H,11-12,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide?
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide is sourced from PubChem (CID 80526634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).