N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide

C22H28N2O4S — CID 24807243

IUPACN-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide
SMILESCN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-24(29(2,26)27)20-14-13-19(23-22(25)18-11-7-4-8-12-18)15-21(20)28-16-17-9-5-3-6-10-17/h3,5-6,9-10,13-15,18H,4,7-8,11-12,16H2,1-2H3,(H,23,25)
InChIKeyURTPLKFLKLZWSU-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.18
Rot. Bonds7

About N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide

N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide (PubChem CID 24807243) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide
PubChem CID24807243
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide
SMILESCN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-24(29(2,26)27)20-14-13-19(23-22(25)18-11-7-4-8-12-18)15-21(20)28-16-17-9-5-3-6-10-17/h3,5-6,9-10,13-15,18H,4,7-8,11-12,16H2,1-2H3,(H,23,25)
InChIKeyURTPLKFLKLZWSU-UHFFFAOYSA-N
XLogP4.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide
CID 24873741
N-(4-Benzyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-7-yl)-methanesulfonamide
CID 6488693
N-[4-(4-fluorophenyl)-3-oxo-2-phenyl-1,4-benzoxazin-7-yl]methanesulfonamide
CID 24744175
3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
CID 24807244
4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
CID 24807434
N-(3-(3-morpholinopropoxy)phenyl)cyclohexanecarboxamide
CID 25015042
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide
CID 56961781
N-[3-(2,5-Dimethoxybenzyloxy)-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide
CID 56961782
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide
CID 56968836
4-cyano-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56968838
4-bromo-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56968840

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide (CID 24807243) is N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide is CN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide?
The InChIKey is URTPLKFLKLZWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-24(29(2,26)27)20-14-13-19(23-22(25)18-11-7-4-8-12-18)15-21(20)28-16-17-9-5-3-6-10-17/h3,5-6,9-10,13-15,18H,4,7-8,11-12,16H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide?
N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide has a molecular weight of 416.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 24807243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).