N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide

C24H32N2O4S — CID 24873741

IUPACN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)C3CCCCC3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C24H32N2O4S/c1-17-10-11-18(2)20(14-17)16-30-23-15-21(12-13-22(23)26(3)31(4,28)29)25-24(27)19-8-6-5-7-9-19/h10-15,19H,5-9,16H2,1-4H3,(H,25,27)
InChIKeyNLBGXSHIKISRHR-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.80
Rot. Bonds7

About N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide

N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide (PubChem CID 24873741) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide
PubChem CID24873741
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)C3CCCCC3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C24H32N2O4S/c1-17-10-11-18(2)20(14-17)16-30-23-15-21(12-13-22(23)26(3)31(4,28)29)25-24(27)19-8-6-5-7-9-19/h10-15,19H,5-9,16H2,1-4H3,(H,25,27)
InChIKeyNLBGXSHIKISRHR-UHFFFAOYSA-N
XLogP4.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide (CID 24873741) is N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide is Cc1ccc(C)c(COc2cc(NC(=O)C3CCCCC3)ccc2N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide?
The InChIKey is NLBGXSHIKISRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-17-10-11-18(2)20(14-17)16-30-23-15-21(12-13-22(23)26(3)31(4,28)29)25-24(27)19-8-6-5-7-9-19/h10-15,19H,5-9,16H2,1-4H3,(H,25,27).
What are the key properties of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide?
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide has a molecular weight of 444.60 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 24873741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).