1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide

C22H28N2O4S — CID 53110497

IUPAC1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1
InChIInChI=1S/C22H28N2O4S/c1-28-20-9-5-4-8-17(20)16-23-21(25)22(14-6-3-7-15-22)18-10-12-19(13-11-18)24-29(2,26)27/h4-5,8-13,24H,3,6-7,14-16H2,1-2H3,(H,23,25)
InChIKeyZUTOZQZICLQDLW-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.59
Rot. Bonds7

About 1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide

1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 53110497) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID53110497
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1
InChIInChI=1S/C22H28N2O4S/c1-28-20-9-5-4-8-17(20)16-23-21(25)22(14-6-3-7-15-22)18-10-12-19(13-11-18)24-29(2,26)27/h4-5,8-13,24H,3,6-7,14-16H2,1-2H3,(H,23,25)
InChIKeyZUTOZQZICLQDLW-UHFFFAOYSA-N
XLogP3.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide
CID 53110667
1-[4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110672
N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110526
1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827021
1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38215828
1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 53110671
N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110461
1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 23600304
N-[[2-(methoxymethyl)phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
CID 33068095
4-(methanesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 41477402
1-N-[(2-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976196

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 53110497) is 1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1ccccc1CNC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ZUTOZQZICLQDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-28-20-9-5-4-8-17(20)16-23-21(25)22(14-6-3-7-15-22)18-10-12-19(13-11-18)24-29(2,26)27/h4-5,8-13,24H,3,6-7,14-16H2,1-2H3,(H,23,25).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 53110497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).