N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide

C16H22Cl2N2O3S — CID 28633074

IUPACN-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide
SMILESCN(C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C16H22Cl2N2O3S/c1-19(13-6-4-3-5-7-13)16(21)11-20(24(2,22)23)15-10-12(17)8-9-14(15)18/h8-10,13H,3-7,11H2,1-2H3
InChIKeyFBCCMOJLTHUWII-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.55
Rot. Bonds5

About N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide

N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 28633074) has the molecular formula C16H22Cl2N2O3S and a molecular weight of 393.34 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID28633074
Molecular FormulaC16H22Cl2N2O3S
Molecular Weight393.34 g/mol
Exact Mass392.07
IUPAC NameN-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide
SMILESCN(C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C16H22Cl2N2O3S/c1-19(13-6-4-3-5-7-13)16(21)11-20(24(2,22)23)15-10-12(17)8-9-14(15)18/h8-10,13H,3-7,11H2,1-2H3
InChIKeyFBCCMOJLTHUWII-UHFFFAOYSA-N
XLogP3.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28575178
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978
2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 43908901
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43895971
2-[(4-chlorophenyl)methyl-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 132630998
2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 92672264
N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide
CID 46771882
(2S)-2-[benzyl-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100525392
(2R)-2-[benzyl-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100525400
(2R)-N-cyclohexyl-2-[[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125052371
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide (CID 28633074) is N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide is CN(C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is FBCCMOJLTHUWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3S/c1-19(13-6-4-3-5-7-13)16(21)11-20(24(2,22)23)15-10-12(17)8-9-14(15)18/h8-10,13H,3-7,11H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide?
N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 393.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 28633074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).