2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide

C15H21ClN2OS — CID 43304756

IUPAC2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide
SMILESNc1cccc(Cl)c1SCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H21ClN2OS/c16-12-8-5-9-13(17)15(12)20-10-14(19)18-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10,17H2,(H,18,19)
InChIKeySOCPPCSOPUNNIC-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.85
Rot. Bonds4

About 2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide

2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide (PubChem CID 43304756) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide
PubChem CID43304756
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide
SMILESNc1cccc(Cl)c1SCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H21ClN2OS/c16-12-8-5-9-13(17)15(12)20-10-14(19)18-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10,17H2,(H,18,19)
InChIKeySOCPPCSOPUNNIC-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-(2-amino-6-chlorophenyl)sulfanylacetic acid
CID 61318232
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
4-[[2-(2-amino-6-chlorophenyl)sulfanylacetyl]amino]butanoic acid
CID 43304528
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide
CID 967744
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43304736
[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489093
2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide
CID 43304833

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide (CID 43304756) is 2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide is Nc1cccc(Cl)c1SCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide?
The InChIKey is SOCPPCSOPUNNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c16-12-8-5-9-13(17)15(12)20-10-14(19)18-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10,17H2,(H,18,19).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide?
2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide has a molecular weight of 312.87 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide is sourced from PubChem (CID 43304756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).