N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide

C21H26FN3O3S — CID 56511329

IUPACN-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCN(c1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1F)C1CCCCC1
InChIInChI=1S/C21H26FN3O3S/c1-25(17-5-3-2-4-6-17)20-12-9-16(14-19(20)22)24-21(26)13-15-7-10-18(11-8-15)29(23,27)28/h7-12,14,17H,2-6,13H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyPLQIKUBSUFGMJJ-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide

N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56511329) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56511329
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC NameN-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCN(c1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1F)C1CCCCC1
InChIInChI=1S/C21H26FN3O3S/c1-25(17-5-3-2-4-6-17)20-12-9-16(14-19(20)22)24-21(26)13-15-7-10-18(11-8-15)29(23,27)28/h7-12,14,17H,2-6,13H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyPLQIKUBSUFGMJJ-UHFFFAOYSA-N
XLogP3.42
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide (CID 56511329) is N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide is CN(c1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1F)C1CCCCC1.
What is the InChIKey of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is PLQIKUBSUFGMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-25(17-5-3-2-4-6-17)20-12-9-16(14-19(20)22)24-21(26)13-15-7-10-18(11-8-15)29(23,27)28/h7-12,14,17H,2-6,13H2,1H3,(H,24,26)(H2,23,27,28).
What are the key properties of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide?
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 419.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56511329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).