2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide

C22H28N2O3S — CID 1232002

IUPAC2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)C2CCCCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17-11-13-21(14-12-17)28(26,27)24(20-9-4-3-5-10-20)16-22(25)23-19-8-6-7-18(2)15-19/h6-8,11-15,20H,3-5,9-10,16H2,1-2H3,(H,23,25)
InChIKeyDPUMOHAAIQGWTO-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.27
Rot. Bonds6

About 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide (PubChem CID 1232002) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
PubChem CID1232002
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)C2CCCCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17-11-13-21(14-12-17)28(26,27)24(20-9-4-3-5-10-20)16-22(25)23-19-8-6-7-18(2)15-19/h6-8,11-15,20H,3-5,9-10,16H2,1-2H3,(H,23,25)
InChIKeyDPUMOHAAIQGWTO-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-methylphenyl)acetamide
CID 1020198
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 1169069
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1321078
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1002076
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-chlorophenyl)acetamide
CID 126010478
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 987644
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 100790812
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 1002068
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide (CID 1232002) is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is DPUMOHAAIQGWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17-11-13-21(14-12-17)28(26,27)24(20-9-4-3-5-10-20)16-22(25)23-19-8-6-7-18(2)15-19/h6-8,11-15,20H,3-5,9-10,16H2,1-2H3,(H,23,25).
What are the key properties of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 400.54 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 1232002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).