(2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide

C16H20N2OS — CID 51687088

IUPAC(2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)NCc1cccs1
InChIInChI=1S/C16H20N2OS/c1-11-6-4-7-12(2)15(11)18-16(19)13(3)17-10-14-8-5-9-20-14/h4-9,13,17H,10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyGONSWWFMXNSHTP-ZDUSSCGKSA-N
MW288.42 g/mol
LogP3.48
Rot. Bonds5

About (2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide

(2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide (PubChem CID 51687088) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide
PubChem CID51687088
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)NCc1cccs1
InChIInChI=1S/C16H20N2OS/c1-11-6-4-7-12(2)15(11)18-16(19)13(3)17-10-14-8-5-9-20-14/h4-9,13,17H,10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyGONSWWFMXNSHTP-ZDUSSCGKSA-N
XLogP3.48
TPSA41.13 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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8945648
N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide
CID 3039535
N-(2,6-dimethylphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 43036311
N-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 50875750
3-(thiophen-2-ylmethylamino)butanoic acid
CID 43536918
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
CID 112726245
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
CID 2415110
amino-(thiophen-2-ylmethylamino)methanol
CID 138478180
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112997000

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide (CID 51687088) is (2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide.
What is the SMILES notation for (2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The canonical SMILES for (2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide is Cc1cccc(C)c1NC(=O)[C@H](C)NCc1cccs1.
What is the InChIKey of (2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The InChIKey is GONSWWFMXNSHTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-6-4-7-12(2)15(11)18-16(19)13(3)17-10-14-8-5-9-20-14/h4-9,13,17H,10H2,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide?
(2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide has a molecular weight of 288.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide is sourced from PubChem (CID 51687088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).