N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide

C14H18Cl2N2OS — CID 60884915

IUPACN-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide
SMILESNc1cc(Cl)c(NC(=O)CSC2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2OS/c15-11-6-9(17)7-12(16)14(11)18-13(19)8-20-10-4-2-1-3-5-10/h6-7,10H,1-5,8,17H2,(H,18,19)
InChIKeyHXPXISAXZMHPBI-UHFFFAOYSA-N
MW333.28 g/mol
LogP4.58
Rot. Bonds4

About N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide

N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide (PubChem CID 60884915) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide
PubChem CID60884915
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide
SMILESNc1cc(Cl)c(NC(=O)CSC2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2OS/c15-11-6-9(17)7-12(16)14(11)18-13(19)8-20-10-4-2-1-3-5-10/h6-7,10H,1-5,8,17H2,(H,18,19)
InChIKeyHXPXISAXZMHPBI-UHFFFAOYSA-N
XLogP4.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 54.58
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-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 7825724
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025
N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
CID 107748372
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886349
N-(4-bromo-2,6-dichlorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626544
N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668030
N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529
N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627970
N-(4-amino-2,6-dichlorophenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861622
N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55131355
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide (CID 60884915) is N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide is Nc1cc(Cl)c(NC(=O)CSC2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide?
The InChIKey is HXPXISAXZMHPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS/c15-11-6-9(17)7-12(16)14(11)18-13(19)8-20-10-4-2-1-3-5-10/h6-7,10H,1-5,8,17H2,(H,18,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide?
N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide has a molecular weight of 333.28 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide is sourced from PubChem (CID 60884915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).