N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide

C23H30N2O5S — CID 22304403

IUPACN-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(NCC(=O)NC2CCCCC2)c(OC)c1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O5S/c1-16-9-11-18(12-10-16)31(27,28)23-20(29-2)14-13-19(22(23)30-3)24-15-21(26)25-17-7-5-4-6-8-17/h9-14,17,24H,4-8,15H2,1-3H3,(H,25,26)
InChIKeyPPZXKYOLTMXLLV-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.71
Rot. Bonds8

About N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide

N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide (PubChem CID 22304403) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
PubChem CID22304403
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(NCC(=O)NC2CCCCC2)c(OC)c1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O5S/c1-16-9-11-18(12-10-16)31(27,28)23-20(29-2)14-13-19(22(23)30-3)24-15-21(26)25-17-7-5-4-6-8-17/h9-14,17,24H,4-8,15H2,1-3H3,(H,25,26)
InChIKeyPPZXKYOLTMXLLV-UHFFFAOYSA-N
XLogP3.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 22303956
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide
CID 22300627
N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22307488
2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
CID 61063574
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172207
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
N-cyclopentyl-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1120603
N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
CID 112995017
2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide
CID 107266016
2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55364871
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
CID 1203936
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
The IUPAC name of N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide (CID 22304403) is N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide is COc1ccc(NCC(=O)NC2CCCCC2)c(OC)c1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
The InChIKey is PPZXKYOLTMXLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-16-9-11-18(12-10-16)31(27,28)23-20(29-2)14-13-19(22(23)30-3)24-15-21(26)25-17-7-5-4-6-8-17/h9-14,17,24H,4-8,15H2,1-3H3,(H,25,26).
What are the key properties of N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide has a molecular weight of 446.57 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide is sourced from PubChem (CID 22304403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).