2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide

C18H29ClN2O3S — CID 133185206

IUPAC2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O
InChIInChI=1S/C18H29ClN2O3S/c1-5-7-8-15(6-2)12-20-18(22)13-21(25(4,23)24)17-10-9-16(19)11-14(17)3/h9-11,15H,5-8,12-13H2,1-4H3,(H,20,22)
InChIKeyJGGOGSSQLUTFRY-UHFFFAOYSA-N
MW388.96 g/mol
LogP3.75
Rot. Bonds10

About 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide (PubChem CID 133185206) has the molecular formula C18H29ClN2O3S and a molecular weight of 388.96 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
PubChem CID133185206
Molecular FormulaC18H29ClN2O3S
Molecular Weight388.96 g/mol
Exact Mass388.16
IUPAC Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O
InChIInChI=1S/C18H29ClN2O3S/c1-5-7-8-15(6-2)12-20-18(22)13-21(25(4,23)24)17-10-9-16(19)11-14(17)3/h9-11,15H,5-8,12-13H2,1-4H3,(H,20,22)
InChIKeyJGGOGSSQLUTFRY-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.96
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-ethylhexyl)acetamide
CID 133244646
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30168964
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185254
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185163
2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185222
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide
CID 94844127
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133163859
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342866
4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133202074
4-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)butanamide
CID 133200434
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070078
N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 43897555

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide (CID 133185206) is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The InChIKey is JGGOGSSQLUTFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O3S/c1-5-7-8-15(6-2)12-20-18(22)13-21(25(4,23)24)17-10-9-16(19)11-14(17)3/h9-11,15H,5-8,12-13H2,1-4H3,(H,20,22).
What are the key properties of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide has a molecular weight of 388.96 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide is sourced from PubChem (CID 133185206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).