2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide

C25H33N3O4S — CID 124550969

IUPAC2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C25H33N3O4S/c1-18-13-19(2)25(20(3)14-18)33(30,31)28(22-10-6-5-7-11-22)17-24(29)27-26-16-21-9-8-12-23(15-21)32-4/h8-9,12-16,22H,5-7,10-11,17H2,1-4H3,(H,27,29)/b26-16+
InChIKeyPDKMQIJVHJAZIL-WGOQTCKBSA-N
MW471.62 g/mol
LogP4.09
Rot. Bonds8

About 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 124550969) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
PubChem CID124550969
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC Name2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C25H33N3O4S/c1-18-13-19(2)25(20(3)14-18)33(30,31)28(22-10-6-5-7-11-22)17-24(29)27-26-16-21-9-8-12-23(15-21)32-4/h8-9,12-16,22H,5-7,10-11,17H2,1-4H3,(H,27,29)/b26-16+
InChIKeyPDKMQIJVHJAZIL-WGOQTCKBSA-N
XLogP4.09
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylphenyl)methylideneamino]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 4575278
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5182080
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethylideneamino)acetamide
CID 4264576
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 6178901
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethylphenyl)acetamide
CID 126371932
N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 124553692
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 92511645
2-[cyclohexyl(methylsulfonyl)amino]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 124551357
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373194
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795184
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
CID 21373176
2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 92657855

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide (CID 124550969) is 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide is COc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is PDKMQIJVHJAZIL-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-18-13-19(2)25(20(3)14-18)33(30,31)28(22-10-6-5-7-11-22)17-24(29)27-26-16-21-9-8-12-23(15-21)32-4/h8-9,12-16,22H,5-7,10-11,17H2,1-4H3,(H,27,29)/b26-16+.
What are the key properties of 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide?
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 471.62 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 124550969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).