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

C24H31ClN2O4S — CID 21373194

IUPACN-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl
InChIInChI=1S/C24H31ClN2O4S/c1-16-12-17(2)24(18(3)13-16)32(29,30)27(20-8-6-5-7-9-20)15-23(28)26-19-10-11-22(31-4)21(25)14-19/h10-14,20H,5-9,15H2,1-4H3,(H,26,28)
InChIKeyKLPOCUQMSKFMFS-UHFFFAOYSA-N
MW479.04 g/mol
LogP5.24
Rot. Bonds7

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

N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 21373194) has the molecular formula C24H31ClN2O4S and a molecular weight of 479.04 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID21373194
Molecular FormulaC24H31ClN2O4S
Molecular Weight479.04 g/mol
Exact Mass478.17
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl
InChIInChI=1S/C24H31ClN2O4S/c1-16-12-17(2)24(18(3)13-16)32(29,30)27(20-8-6-5-7-9-20)15-23(28)26-19-10-11-22(31-4)21(25)14-19/h10-14,20H,5-9,15H2,1-4H3,(H,26,28)
InChIKeyKLPOCUQMSKFMFS-UHFFFAOYSA-N
XLogP5.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.04
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide with MolForge

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 3971662
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(3,5-dichlorophenyl)acetamide
CID 126371813
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 21373188
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 126010723
2-[4-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetyl]amino]phenyl]acetamide
CID 100796330
N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
CID 100797109
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethylphenyl)acetamide
CID 126371932
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100797114
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113153145
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 126009501
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 78825056
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 2240865

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 21373194) is N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is KLPOCUQMSKFMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O4S/c1-16-12-17(2)24(18(3)13-16)32(29,30)27(20-8-6-5-7-9-20)15-23(28)26-19-10-11-22(31-4)21(25)14-19/h10-14,20H,5-9,15H2,1-4H3,(H,26,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 479.04 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 21373194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).