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

C16H21N3OS — CID 99107009

IUPACN-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide
SMILESCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C16H21N3OS/c1-19(14-6-7-15(9-14)21-2)11-16(20)18-13-5-3-4-12(8-13)10-17/h3-5,8,14-15H,6-7,9,11H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyTZZKZPRQFNZLGN-HUUCEWRRSA-N
MW303.43 g/mol
LogP2.71
Rot. Bonds5

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

N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide (PubChem CID 99107009) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide
PubChem CID99107009
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide
SMILESCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C16H21N3OS/c1-19(14-6-7-15(9-14)21-2)11-16(20)18-13-5-3-4-12(8-13)10-17/h3-5,8,14-15H,6-7,9,11H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyTZZKZPRQFNZLGN-HUUCEWRRSA-N
XLogP2.71
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[methyl-(3-methylsulfanylcyclopentyl)amino]acetamide
CID 71986559
3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839707
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 99106839
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299902
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569140
N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
CID 43264179
N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide
CID 115638357

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide (CID 99107009) is N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide is CS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide?
The InChIKey is TZZKZPRQFNZLGN-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-19(14-6-7-15(9-14)21-2)11-16(20)18-13-5-3-4-12(8-13)10-17/h3-5,8,14-15H,6-7,9,11H2,1-2H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide?
N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide has a molecular weight of 303.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide is sourced from PubChem (CID 99107009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).