2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide

C28H32N2O4S — CID 1002068

IUPAC2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C2CCCCC2)cc1
InChIInChI=1S/C28H32N2O4S/c1-22-12-18-27(19-13-22)35(32,33)30(25-10-6-3-7-11-25)20-28(31)29-24-14-16-26(17-15-24)34-21-23-8-4-2-5-9-23/h2,4-5,8-9,12-19,25H,3,6-7,10-11,20-21H2,1H3,(H,29,31)
InChIKeyNZQSSUZYUCJIES-UHFFFAOYSA-N
MW492.64 g/mol
LogP5.54
Rot. Bonds9

About 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 1002068) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID1002068
Molecular FormulaC28H32N2O4S
Molecular Weight492.64 g/mol
Exact Mass492.21
IUPAC Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C2CCCCC2)cc1
InChIInChI=1S/C28H32N2O4S/c1-22-12-18-27(19-13-22)35(32,33)30(25-10-6-3-7-11-25)20-28(31)29-24-14-16-26(17-15-24)34-21-23-8-4-2-5-9-23/h2,4-5,8-9,12-19,25H,3,6-7,10-11,20-21H2,1H3,(H,29,31)
InChIKeyNZQSSUZYUCJIES-UHFFFAOYSA-N
XLogP5.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
2-[acetyl(cyclopentyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113159367
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51343828
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51344624
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126062120
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 21373188
(4-methylphenyl)-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]sulfamic acid
CID 174743808
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51343230

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide (CID 1002068) is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is NZQSSUZYUCJIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4S/c1-22-12-18-27(19-13-22)35(32,33)30(25-10-6-3-7-11-25)20-28(31)29-24-14-16-26(17-15-24)34-21-23-8-4-2-5-9-23/h2,4-5,8-9,12-19,25H,3,6-7,10-11,20-21H2,1H3,(H,29,31).
What are the key properties of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 492.64 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 1002068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).