2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide

C15H19N3OS — CID 79148726

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
SMILESCc1cc(SCC(=O)NC2(C#N)CCCC2)ccc1N
InChIInChI=1S/C15H19N3OS/c1-11-8-12(4-5-13(11)17)20-9-14(19)18-15(10-16)6-2-3-7-15/h4-5,8H,2-3,6-7,9,17H2,1H3,(H,18,19)
InChIKeyVBRIXWYYZOYRBA-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.62
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide (PubChem CID 79148726) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
PubChem CID79148726
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
SMILESCc1cc(SCC(=O)NC2(C#N)CCCC2)ccc1N
InChIInChI=1S/C15H19N3OS/c1-11-8-12(4-5-13(11)17)20-9-14(19)18-15(10-16)6-2-3-7-15/h4-5,8H,2-3,6-7,9,17H2,1H3,(H,18,19)
InChIKeyVBRIXWYYZOYRBA-UHFFFAOYSA-N
XLogP2.62
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide
CID 51085302
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43302044
N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468590
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 43304615
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7597414
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128325
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43301358
N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4822968
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide (CID 79148726) is 2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide is Cc1cc(SCC(=O)NC2(C#N)CCCC2)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is VBRIXWYYZOYRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-8-12(4-5-13(11)17)20-9-14(19)18-15(10-16)6-2-3-7-15/h4-5,8H,2-3,6-7,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 79148726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).