2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide

C24H33ClN2O3S — CID 133229095

IUPAC2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H33ClN2O3S/c1-5-7-8-20(6-2)16-26-24(28)17-27(21-12-11-19(4)23(25)15-21)31(29,30)22-13-9-18(3)10-14-22/h9-15,20H,5-8,16-17H2,1-4H3,(H,26,28)
InChIKeyCQQHXLBWIRVACZ-UHFFFAOYSA-N
MW465.06 g/mol
LogP5.48
Rot. Bonds11

About 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide

2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide (PubChem CID 133229095) has the molecular formula C24H33ClN2O3S and a molecular weight of 465.06 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide
PubChem CID133229095
Molecular FormulaC24H33ClN2O3S
Molecular Weight465.06 g/mol
Exact Mass464.19
IUPAC Name2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H33ClN2O3S/c1-5-7-8-20(6-2)16-26-24(28)17-27(21-12-11-19(4)23(25)15-21)31(29,30)22-13-9-18(3)10-14-22/h9-15,20H,5-8,16-17H2,1-4H3,(H,26,28)
InChIKeyCQQHXLBWIRVACZ-UHFFFAOYSA-N
XLogP5.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.06
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172785
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide
CID 94844127
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172772
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185163
N-(2-ethylhexyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133185425
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-ethylhexyl)acetamide
CID 133244646
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43894949
N-butyl-2-[[2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-chlorophenyl)methyl]amino]butanamide
CID 132753639
N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126128117
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
CID 126317365
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide
CID 133244644
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 30172800

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide (CID 133229095) is 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide?
The InChIKey is CQQHXLBWIRVACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O3S/c1-5-7-8-20(6-2)16-26-24(28)17-27(21-12-11-19(4)23(25)15-21)31(29,30)22-13-9-18(3)10-14-22/h9-15,20H,5-8,16-17H2,1-4H3,(H,26,28).
What are the key properties of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide?
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide has a molecular weight of 465.06 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide is sourced from PubChem (CID 133229095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).