2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide

C23H30Cl2N2O3S — CID 21373534

IUPAC2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H30Cl2N2O3S/c1-5-6-7-10-26-22(28)15-27(14-19-8-9-20(24)21(25)13-19)31(29,30)23-17(3)11-16(2)12-18(23)4/h8-9,11-13H,5-7,10,14-15H2,1-4H3,(H,26,28)
InChIKeyJYZKFAARACBDTN-UHFFFAOYSA-N
MW485.48 g/mol
LogP5.42
Rot. Bonds10

About 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide

2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide (PubChem CID 21373534) has the molecular formula C23H30Cl2N2O3S and a molecular weight of 485.48 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide
PubChem CID21373534
Molecular FormulaC23H30Cl2N2O3S
Molecular Weight485.48 g/mol
Exact Mass484.14
IUPAC Name2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H30Cl2N2O3S/c1-5-6-7-10-26-22(28)15-27(14-19-8-9-20(24)21(25)13-19)31(29,30)23-17(3)11-16(2)12-18(23)4/h8-9,11-13H,5-7,10,14-15H2,1-4H3,(H,26,28)
InChIKeyJYZKFAARACBDTN-UHFFFAOYSA-N
XLogP5.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide
CID 126063097
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 21373434
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 21373432
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 126392672
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-pentylacetamide
CID 126393057
4-[(E)-[[2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 126372612
N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide
CID 21373537
N-(3-methylbutyl)-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371796
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 21373490
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 126375533
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 4202606
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 4113243

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide (CID 21373534) is 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide is CCCCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide?
The InChIKey is JYZKFAARACBDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N2O3S/c1-5-6-7-10-26-22(28)15-27(14-19-8-9-20(24)21(25)13-19)31(29,30)23-17(3)11-16(2)12-18(23)4/h8-9,11-13H,5-7,10,14-15H2,1-4H3,(H,26,28).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide?
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide has a molecular weight of 485.48 g/mol, XLogP of 5.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide is sourced from PubChem (CID 21373534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).