2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C22H30FN5O3S2 — CID 55626130

IUPAC2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H30FN5O3S2/c1-26(19-5-3-2-4-6-19)33(30,31)28-13-11-27(12-14-28)15-21(29)25-22-24-20(16-32-22)17-7-9-18(23)10-8-17/h7-10,16,19H,2-6,11-15H2,1H3,(H,24,25,29)
InChIKeyHOQORHUKDRMZPZ-UHFFFAOYSA-N
MW495.65 g/mol
LogP3.01
Rot. Bonds7

About 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 55626130) has the molecular formula C22H30FN5O3S2 and a molecular weight of 495.65 g/mol. Its IUPAC name is 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID55626130
Molecular FormulaC22H30FN5O3S2
Molecular Weight495.65 g/mol
Exact Mass495.18
IUPAC Name2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H30FN5O3S2/c1-26(19-5-3-2-4-6-19)33(30,31)28-13-11-27(12-14-28)15-21(29)25-22-24-20(16-32-22)17-7-9-18(23)10-8-17/h7-10,16,19H,2-6,11-15H2,1H3,(H,24,25,29)
InChIKeyHOQORHUKDRMZPZ-UHFFFAOYSA-N
XLogP3.01
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
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4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4099174
4-[cyclopentyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 18584062
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CID 24594059
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CID 30254150
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CID 22197140
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2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
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N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 55626130) is 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is HOQORHUKDRMZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O3S2/c1-26(19-5-3-2-4-6-19)33(30,31)28-13-11-27(12-14-28)15-21(29)25-22-24-20(16-32-22)17-7-9-18(23)10-8-17/h7-10,16,19H,2-6,11-15H2,1H3,(H,24,25,29).
What are the key properties of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 495.65 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55626130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).