2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide

C22H28N2O5S — CID 22303956

IUPAC2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide
SMILESCOc1ccc(NCC(=O)NC2CCCCC2)c(S(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C22H28N2O5S/c1-28-19-14-13-18(23-15-20(25)24-16-9-5-3-6-10-16)22(21(19)29-2)30(26,27)17-11-7-4-8-12-17/h4,7-8,11-14,16,23H,3,5-6,9-10,15H2,1-2H3,(H,24,25)
InChIKeyXOAZKFDGGURJFS-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.40
Rot. Bonds8

About 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide

2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide (PubChem CID 22303956) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide
PubChem CID22303956
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide
SMILESCOc1ccc(NCC(=O)NC2CCCCC2)c(S(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C22H28N2O5S/c1-28-19-14-13-18(23-15-20(25)24-16-9-5-3-6-10-16)22(21(19)29-2)30(26,27)17-11-7-4-8-12-17/h4,7-8,11-14,16,23H,3,5-6,9-10,15H2,1-2H3,(H,24,25)
InChIKeyXOAZKFDGGURJFS-UHFFFAOYSA-N
XLogP3.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.40
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

N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304403
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide
CID 22300627
2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 22307389
2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
CID 61063574
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide
CID 22304181
N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide
CID 71882424
N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide
CID 22303984
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
CID 1203936
N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22307488

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide (CID 22303956) is 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide is COc1ccc(NCC(=O)NC2CCCCC2)c(S(=O)(=O)c2ccccc2)c1OC.
What is the InChIKey of 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide?
The InChIKey is XOAZKFDGGURJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-28-19-14-13-18(23-15-20(25)24-16-9-5-3-6-10-16)22(21(19)29-2)30(26,27)17-11-7-4-8-12-17/h4,7-8,11-14,16,23H,3,5-6,9-10,15H2,1-2H3,(H,24,25).
What are the key properties of 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide?
2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide has a molecular weight of 432.54 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide is sourced from PubChem (CID 22303956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).