2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide

C14H16ClN3OS — CID 43304615

IUPAC2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CSc2c(N)cccc2Cl)CCCC1
InChIInChI=1S/C14H16ClN3OS/c15-10-4-3-5-11(17)13(10)20-8-12(19)18-14(9-16)6-1-2-7-14/h3-5H,1-2,6-8,17H2,(H,18,19)
InChIKeySVJQCPRMVWTUAF-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.97
Rot. Bonds4

About 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide

2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide (PubChem CID 43304615) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
PubChem CID43304615
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CSc2c(N)cccc2Cl)CCCC1
InChIInChI=1S/C14H16ClN3OS/c15-10-4-3-5-11(17)13(10)20-8-12(19)18-14(9-16)6-1-2-7-14/h3-5H,1-2,6-8,17H2,(H,18,19)
InChIKeySVJQCPRMVWTUAF-UHFFFAOYSA-N
XLogP2.97
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 79148726
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 33164628
N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide
CID 51085302
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43302044
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43301358
2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 43304981
2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide
CID 43304756
N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468590
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
CID 29484884
2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide
CID 27767559
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide (CID 43304615) is 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)CSc2c(N)cccc2Cl)CCCC1.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is SVJQCPRMVWTUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-10-4-3-5-11(17)13(10)20-8-12(19)18-14(9-16)6-1-2-7-14/h3-5H,1-2,6-8,17H2,(H,18,19).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 309.82 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 43304615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).