3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide

C16H20N2OS — CID 115426261

IUPAC3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
SMILESCC(C)(CN)C(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-16(2,11-17)15(19)18-14(13-9-6-10-20-13)12-7-4-3-5-8-12/h3-10,14H,11,17H2,1-2H3,(H,18,19)
InChIKeyCOIGPMOUNNGNHA-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.94
Rot. Bonds5

About 3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide

3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide (PubChem CID 115426261) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
PubChem CID115426261
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
SMILESCC(C)(CN)C(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-16(2,11-17)15(19)18-14(13-9-6-10-20-13)12-7-4-3-5-8-12/h3-10,14H,11,17H2,1-2H3,(H,18,19)
InChIKeyCOIGPMOUNNGNHA-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 62733554
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 115426635
3-amino-N-(2,2-dimethyl-1-phenylpropyl)-2,2-dimethylpropanamide
CID 115426224
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 43708998
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41392516
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8794366
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230022

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide (CID 115426261) is 3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide is CC(C)(CN)C(=O)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide?
The InChIKey is COIGPMOUNNGNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-16(2,11-17)15(19)18-14(13-9-6-10-20-13)12-7-4-3-5-8-12/h3-10,14H,11,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide?
3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide has a molecular weight of 288.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 115426261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).