N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide

C17H24N2O2S — CID 98775402

IUPACN-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide
SMILESCS[C@@H]1CCC[C@@H]1N(C)CC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C17H24N2O2S/c1-12(20)13-6-4-7-14(10-13)18-17(21)11-19(2)15-8-5-9-16(15)22-3/h4,6-7,10,15-16H,5,8-9,11H2,1-3H3,(H,18,21)/t15-,16+/m0/s1
InChIKeyLFQOHPIILKAARM-JKSUJKDBSA-N
MW320.46 g/mol
LogP3.04
Rot. Bonds6

About N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide

N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide (PubChem CID 98775402) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide
PubChem CID98775402
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide
SMILESCS[C@@H]1CCC[C@@H]1N(C)CC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C17H24N2O2S/c1-12(20)13-6-4-7-14(10-13)18-17(21)11-19(2)15-8-5-9-16(15)22-3/h4,6-7,10,15-16H,5,8-9,11H2,1-3H3,(H,18,21)/t15-,16+/m0/s1
InChIKeyLFQOHPIILKAARM-JKSUJKDBSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[methyl-(2-methylsulfanylcyclopentyl)amino]acetamide
CID 71868839
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CID 102631536
N-(3-acetylphenyl)-2-[benzyl(cyclohexyl)amino]acetamide
CID 52688849
N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048960
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54817312
N-(3-acetylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334507
N'-(3-acetylphenyl)-N-cyclopentylpropanediamide
CID 108942255
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide
CID 8512794

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide (CID 98775402) is N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide is CS[C@@H]1CCC[C@@H]1N(C)CC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide?
The InChIKey is LFQOHPIILKAARM-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-12(20)13-6-4-7-14(10-13)18-17(21)11-19(2)15-8-5-9-16(15)22-3/h4,6-7,10,15-16H,5,8-9,11H2,1-3H3,(H,18,21)/t15-,16+/m0/s1.
What are the key properties of N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide?
N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide has a molecular weight of 320.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide is sourced from PubChem (CID 98775402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).