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

C17H22Cl2N2O3S — CID 17027739

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H22Cl2N2O3S/c1-21(25(23,24)16-11-14(18)7-8-15(16)19)12-17(22)20-10-9-13-5-3-2-4-6-13/h5,7-8,11H,2-4,6,9-10,12H2,1H3,(H,20,22)
InChIKeyCWPLNMQYFHALPT-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.62
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 17027739) has the molecular formula C17H22Cl2N2O3S and a molecular weight of 405.35 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID17027739
Molecular FormulaC17H22Cl2N2O3S
Molecular Weight405.35 g/mol
Exact Mass404.07
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H22Cl2N2O3S/c1-21(25(23,24)16-11-14(18)7-8-15(16)19)12-17(22)20-10-9-13-5-3-2-4-6-13/h5,7-8,11H,2-4,6,9-10,12H2,1H3,(H,20,22)
InChIKeyCWPLNMQYFHALPT-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.62
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-ethylamino]acetamide
CID 45371959
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 30167908
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648906
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 92647652
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 1315364
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874576
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4816152
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
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 108993859
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide
CID 113156112

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide (CID 17027739) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide is CN(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-methylamino]acetamide?
The InChIKey is CWPLNMQYFHALPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3S/c1-21(25(23,24)16-11-14(18)7-8-15(16)19)12-17(22)20-10-9-13-5-3-2-4-6-13/h5,7-8,11H,2-4,6,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 405.35 g/mol, XLogP of 3.62, 7 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-methylamino]acetamide is sourced from PubChem (CID 17027739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).