4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide

C22H28N2O4S — CID 5323358

IUPAC4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-28-20-13-9-17(10-14-20)15-23-22(25)19-11-7-18(8-12-19)16-24-29(26,27)21-5-3-2-4-6-21/h2-6,9-10,13-14,18-19,24H,7-8,11-12,15-16H2,1H3,(H,23,25)
InChIKeyUVVOARKHXWBDKI-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.10
Rot. Bonds8

About 4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide

4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 5323358) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID5323358
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-28-20-13-9-17(10-14-20)15-23-22(25)19-11-7-18(8-12-19)16-24-29(26,27)21-5-3-2-4-6-21/h2-6,9-10,13-14,18-19,24H,7-8,11-12,15-16H2,1H3,(H,23,25)
InChIKeyUVVOARKHXWBDKI-UHFFFAOYSA-N
XLogP3.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamidomethyl)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 68813828
N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322910
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
4-(benzenesulfonamidomethyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 3444702
4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 6624440
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124650011
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 67246912
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 124649118
2-[(2R,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 163153303
N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 124649867
N-benzyl-4-methoxybenzenesulfonamide
CID 741351

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 5323358) is 4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is UVVOARKHXWBDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-28-20-13-9-17(10-14-20)15-23-22(25)19-11-7-18(8-12-19)16-24-29(26,27)21-5-3-2-4-6-21/h2-6,9-10,13-14,18-19,24H,7-8,11-12,15-16H2,1H3,(H,23,25).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 5323358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).