2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide

C17H24N2O2S — CID 96832429

IUPAC2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide
SMILESCS[C@H]1CCC[C@H]1N(C)CC(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C17H24N2O2S/c1-19(14-9-6-10-16(14)22-2)12-17(21)18-11-15(20)13-7-4-3-5-8-13/h3-5,7-8,14,16H,6,9-12H2,1-2H3,(H,18,21)/t14-,16+/m1/s1
InChIKeyUCUZVRCOHLAIAA-ZBFHGGJFSA-N
MW320.46 g/mol
LogP2.20
Rot. Bonds7

About 2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide

2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide (PubChem CID 96832429) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide.

Molecular Properties

Compound Name2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide
PubChem CID96832429
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide
SMILESCS[C@H]1CCC[C@H]1N(C)CC(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C17H24N2O2S/c1-19(14-9-6-10-16(14)22-2)12-17(21)18-11-15(20)13-7-4-3-5-8-13/h3-5,7-8,14,16H,6,9-12H2,1-2H3,(H,18,21)/t14-,16+/m1/s1
InChIKeyUCUZVRCOHLAIAA-ZBFHGGJFSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide
CID 124735933
N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide
CID 98775402
N-(3-acetylphenyl)-2-[methyl-(2-methylsulfanylcyclopentyl)amino]acetamide
CID 71868839
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-phenacylacetamide
CID 109397769
2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 99106879
N-phenacylcyclohexanecarboxamide
CID 54070217
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid
CID 39258593
(2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide
CID 97324947
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenacylacetamide
CID 111913601
2-methyl-N-phenacylcyclopropane-1-carboxamide
CID 64991605
2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide
CID 71866641
2-[cyclohexyl(methyl)amino]-N-(3,3-diphenylpropyl)acetamide
CID 68887856

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide?
The IUPAC name of 2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide (CID 96832429) is 2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide.
What is the SMILES notation for 2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide?
The canonical SMILES for 2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide is CS[C@H]1CCC[C@H]1N(C)CC(=O)NCC(=O)c1ccccc1.
What is the InChIKey of 2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide?
The InChIKey is UCUZVRCOHLAIAA-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-19(14-9-6-10-16(14)22-2)12-17(21)18-11-15(20)13-7-4-3-5-8-13/h3-5,7-8,14,16H,6,9-12H2,1-2H3,(H,18,21)/t14-,16+/m1/s1.
What are the key properties of 2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide?
2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide has a molecular weight of 320.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide is sourced from PubChem (CID 96832429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).