3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide

C16H20N2OS — CID 80552244

IUPAC3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1ccsc1
InChIInChI=1S/C16H20N2OS/c1-11(15(17)13-6-4-3-5-7-13)16(19)18-12(2)14-8-9-20-10-14/h3-12,15H,17H2,1-2H3,(H,18,19)
InChIKeyRGQVTVZLBBJAPB-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.26
Rot. Bonds5

About 3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide

3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide (PubChem CID 80552244) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
PubChem CID80552244
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1ccsc1
InChIInChI=1S/C16H20N2OS/c1-11(15(17)13-6-4-3-5-7-13)16(19)18-12(2)14-8-9-20-10-14/h3-12,15H,17H2,1-2H3,(H,18,19)
InChIKeyRGQVTVZLBBJAPB-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-2-methyl-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119706895
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
CID 119863805
(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide
CID 62844569
(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide
CID 107569617
2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 62843528
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 119781515
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119720013
3-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745654
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide (CID 80552244) is 3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide is CC(NC(=O)C(C)C(N)c1ccccc1)c1ccsc1.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide?
The InChIKey is RGQVTVZLBBJAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(15(17)13-6-4-3-5-7-13)16(19)18-12(2)14-8-9-20-10-14/h3-12,15H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide?
3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide has a molecular weight of 288.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 80552244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).