N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide

C18H24Cl2N2O3S — CID 45371959

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H24Cl2N2O3S/c1-2-22(26(24,25)17-12-15(19)8-9-16(17)20)13-18(23)21-11-10-14-6-4-3-5-7-14/h6,8-9,12H,2-5,7,10-11,13H2,1H3,(H,21,23)
InChIKeyBCRXFOXNQVWUMD-UHFFFAOYSA-N
MW419.37 g/mol
LogP4.01
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 45371959) has the molecular formula C18H24Cl2N2O3S and a molecular weight of 419.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID45371959
Molecular FormulaC18H24Cl2N2O3S
Molecular Weight419.37 g/mol
Exact Mass418.09
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H24Cl2N2O3S/c1-2-22(26(24,25)17-12-15(19)8-9-16(17)20)13-18(23)21-11-10-14-6-4-3-5-7-14/h6,8-9,12H,2-5,7,10-11,13H2,1H3,(H,21,23)
InChIKeyBCRXFOXNQVWUMD-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 17027739
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 45371966
N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 4233254
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 30167908
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2239469
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 92647652
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782324
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648906
2-(4-chloro-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55898788

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (CID 45371959) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is BCRXFOXNQVWUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O3S/c1-2-22(26(24,25)17-12-15(19)8-9-16(17)20)13-18(23)21-11-10-14-6-4-3-5-7-14/h6,8-9,12H,2-5,7,10-11,13H2,1H3,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 419.37 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 45371959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).