2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide

C13H17BrN2OS — CID 79533636

IUPAC2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide
SMILESNc1ccc(Br)cc1SCC(=O)NC1CCCC1
InChIInChI=1S/C13H17BrN2OS/c14-9-5-6-11(15)12(7-9)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17)
InChIKeySWRDHXQWESKSHQ-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide

2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide (PubChem CID 79533636) has the molecular formula C13H17BrN2OS and a molecular weight of 329.26 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide
PubChem CID79533636
Molecular FormulaC13H17BrN2OS
Molecular Weight329.26 g/mol
Exact Mass328.02
IUPAC Name2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide
SMILESNc1ccc(Br)cc1SCC(=O)NC1CCCC1
InChIInChI=1S/C13H17BrN2OS/c14-9-5-6-11(15)12(7-9)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17)
InChIKeySWRDHXQWESKSHQ-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide 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

2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide
CID 79148805
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
2-(5-amino-2-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79141959
4-[[2-(2-amino-5-bromophenyl)sulfanylacetyl]amino]butanoic acid
CID 79532834
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 43249136
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79533282
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide (CID 79533636) is 2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide is Nc1ccc(Br)cc1SCC(=O)NC1CCCC1.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide?
The InChIKey is SWRDHXQWESKSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2OS/c14-9-5-6-11(15)12(7-9)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17).
What are the key properties of 2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide?
2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide has a molecular weight of 329.26 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 79533636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).