N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide

C18H26N2O2S — CID 95934248

IUPACN-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
SMILESCCC(=O)N(C)c1ccccc1C(=O)N(C)[C@@H]1CC[C@@H](SC)C1
InChIInChI=1S/C18H26N2O2S/c1-5-17(21)20(3)16-9-7-6-8-15(16)18(22)19(2)13-10-11-14(12-13)23-4/h6-9,13-14H,5,10-12H2,1-4H3/t13-,14-/m1/s1
InChIKeyWHDPQNGRAAMULM-ZIAGYGMSSA-N
MW334.49 g/mol
LogP3.42
Rot. Bonds5

About N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide

N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide (PubChem CID 95934248) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
PubChem CID95934248
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
SMILESCCC(=O)N(C)c1ccccc1C(=O)N(C)[C@@H]1CC[C@@H](SC)C1
InChIInChI=1S/C18H26N2O2S/c1-5-17(21)20(3)16-9-7-6-8-15(16)18(22)19(2)13-10-11-14(12-13)23-4/h6-9,13-14H,5,10-12H2,1-4H3/t13-,14-/m1/s1
InChIKeyWHDPQNGRAAMULM-ZIAGYGMSSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide
CID 96521734
3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide
CID 96521737
3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide
CID 95898425
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 71914679
N-cyclopropyl-N-methyl-2-(propylamino)benzamide
CID 62169629
(1S)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
CID 100859470
(1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
CID 100859471
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 71866658
3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide
CID 96517663
N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-2-iodo-N-methyl-3-nitrobenzamide
CID 99783416
N-(3-ethylsulfanylcyclopentyl)-2-iodo-N-methyl-3-nitrobenzamide
CID 91648119

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide?
The IUPAC name of N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide (CID 95934248) is N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide.
What is the SMILES notation for N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide?
The canonical SMILES for N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide is CCC(=O)N(C)c1ccccc1C(=O)N(C)[C@@H]1CC[C@@H](SC)C1.
What is the InChIKey of N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide?
The InChIKey is WHDPQNGRAAMULM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-5-17(21)20(3)16-9-7-6-8-15(16)18(22)19(2)13-10-11-14(12-13)23-4/h6-9,13-14H,5,10-12H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide?
N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide has a molecular weight of 334.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide is sourced from PubChem (CID 95934248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).