N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide

C22H27NO4S — CID 167622583

IUPACN-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide
SMILESCOc1c(C)cc(-c2ccccc2)cc1C(=O)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C22H27NO4S/c1-16-13-18(17-9-5-3-6-10-17)14-20(22(16)27-2)21(24)15-23-28(25,26)19-11-7-4-8-12-19/h3,5-6,9-10,13-14,19,23H,4,7-8,11-12,15H2,1-2H3
InChIKeyJJABMWYRGHGQBF-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.11
Rot. Bonds7

About N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide

N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide (PubChem CID 167622583) has the molecular formula C22H27NO4S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide
PubChem CID167622583
Molecular FormulaC22H27NO4S
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC NameN-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide
SMILESCOc1c(C)cc(-c2ccccc2)cc1C(=O)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C22H27NO4S/c1-16-13-18(17-9-5-3-6-10-17)14-20(22(16)27-2)21(24)15-23-28(25,26)19-11-7-4-8-12-19/h3,5-6,9-10,13-14,19,23H,4,7-8,11-12,15H2,1-2H3
InChIKeyJJABMWYRGHGQBF-UHFFFAOYSA-N
XLogP4.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide (CID 167622583) is N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide is COc1c(C)cc(-c2ccccc2)cc1C(=O)CNS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide?
The InChIKey is JJABMWYRGHGQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4S/c1-16-13-18(17-9-5-3-6-10-17)14-20(22(16)27-2)21(24)15-23-28(25,26)19-11-7-4-8-12-19/h3,5-6,9-10,13-14,19,23H,4,7-8,11-12,15H2,1-2H3.
What are the key properties of N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide?
N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide has a molecular weight of 401.53 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide is sourced from PubChem (CID 167622583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).