N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide

C30H35FN2O3S — CID 23582143

IUPACN-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2CCC(CN(Cc3ccccc3)S(=O)(=O)c3ccc(F)cc3C)CC2)cc1
InChIInChI=1S/C30H35FN2O3S/c1-22-8-10-24(11-9-22)19-30(34)32-28-15-12-26(13-16-28)21-33(20-25-6-4-3-5-7-25)37(35,36)29-17-14-27(31)18-23(29)2/h3-11,14,17-18,26,28H,12-13,15-16,19-21H2,1-2H3,(H,32,34)
InChIKeyOEVGUSGDYKRPPS-UHFFFAOYSA-N
MW522.69 g/mol
LogP5.55
Rot. Bonds9

About N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide

N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide (PubChem CID 23582143) has the molecular formula C30H35FN2O3S and a molecular weight of 522.69 g/mol. Its IUPAC name is N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
PubChem CID23582143
Molecular FormulaC30H35FN2O3S
Molecular Weight522.69 g/mol
Exact Mass522.24
IUPAC NameN-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2CCC(CN(Cc3ccccc3)S(=O)(=O)c3ccc(F)cc3C)CC2)cc1
InChIInChI=1S/C30H35FN2O3S/c1-22-8-10-24(11-9-22)19-30(34)32-28-15-12-26(13-16-28)21-33(20-25-6-4-3-5-7-25)37(35,36)29-17-14-27(31)18-23(29)2/h3-11,14,17-18,26,28H,12-13,15-16,19-21H2,1-2H3,(H,32,34)
InChIKeyOEVGUSGDYKRPPS-UHFFFAOYSA-N
XLogP5.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[benzyl-(3,5-dimethylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 23582066
4-[[benzyl-(2-fluorophenyl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 152769974
N-[4-[[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]methyl]cyclohexyl]-N-methyl-2-phenylacetamide
CID 23582317
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide
CID 2695389
2-[4-[[benzyl-(3-chloro-2-fluorophenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 68816734
N-cyclopropyl-2-phenylacetamide
CID 5175687
4-[[benzenesulfonyl(benzyl)amino]methyl]-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 23582443
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)methylsulfonyl]amino]acetic acid
CID 167969467
2-[4-[[benzyl-(3,5-dimethylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 68815431
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
N-[4-[[benzenesulfonyl-[(3,4-difluorophenyl)methyl]amino]methyl]cyclohexyl]-N-[(4-methylphenyl)methyl]formamide
CID 87586243
N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide
CID 115556481

Frequently Asked Questions

What is the IUPAC name of N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide (CID 23582143) is N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NC2CCC(CN(Cc3ccccc3)S(=O)(=O)c3ccc(F)cc3C)CC2)cc1.
What is the InChIKey of N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
The InChIKey is OEVGUSGDYKRPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O3S/c1-22-8-10-24(11-9-22)19-30(34)32-28-15-12-26(13-16-28)21-33(20-25-6-4-3-5-7-25)37(35,36)29-17-14-27(31)18-23(29)2/h3-11,14,17-18,26,28H,12-13,15-16,19-21H2,1-2H3,(H,32,34).
What are the key properties of N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide has a molecular weight of 522.69 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[benzyl-(4-fluoro-2-methylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 23582143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).