N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C18H24FN5O3S2 — CID 645531

IUPACN-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCS(=O)(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccc(F)cc1
InChIInChI=1S/C18H24FN5O3S2/c1-29(26,27)20-11-16-22-23-18(24(16)15-9-7-13(19)8-10-15)28-12-17(25)21-14-5-3-2-4-6-14/h7-10,14,20H,2-6,11-12H2,1H3,(H,21,25)
InChIKeyKTQGZSIDJPLJSL-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.00
Rot. Bonds8

About N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 645531) has the molecular formula C18H24FN5O3S2 and a molecular weight of 441.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID645531
Molecular FormulaC18H24FN5O3S2
Molecular Weight441.55 g/mol
Exact Mass441.13
IUPAC NameN-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCS(=O)(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccc(F)cc1
InChIInChI=1S/C18H24FN5O3S2/c1-29(26,27)20-11-16-22-23-18(24(16)15-9-7-13(19)8-10-15)28-12-17(25)21-14-5-3-2-4-6-14/h7-10,14,20H,2-6,11-12H2,1H3,(H,21,25)
InChIKeyKTQGZSIDJPLJSL-UHFFFAOYSA-N
XLogP2.00
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-({4-ethyl-5-[(ethylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-(4-fluorophenyl)acetamide
CID 2231699
N-(3-Amino-phenyl)-2-(5-methyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 859409
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 2096590
2-(5-{[(4-Fluorophenyl)amino]methyl}-4-phenyl-1,2,4-triazol-3-ylthio)acetic ac id
CID 1151080
[(2-{4-Ethyl-5-[(4-fluoro-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetyl)-(4-fluoro-phenyl)-amino]-acetic acid ethyl ester
CID 3181189
2-{4-(2,5-Dimethyl-phenyl)-5-[(4-fluoro-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
CID 645565
2-{4-Cyclohexyl-5-[(4-fluoro-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 649617
2-(5-{[(4-Fluorophenyl)amino]methyl}-4-(4-methylphenyl)-1,2,4-triazol-3-ylthio)acetamide
CID 1170268
N-(2-fluorophenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1319383
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2085673
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2085903
N-Benzyl-2-{4-benzyl-5-[(4-fluoro-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
CID 3168576

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 645531) is N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CS(=O)(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is KTQGZSIDJPLJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O3S2/c1-29(26,27)20-11-16-22-23-18(24(16)15-9-7-13(19)8-10-15)28-12-17(25)21-14-5-3-2-4-6-14/h7-10,14,20H,2-6,11-12H2,1H3,(H,21,25).
What are the key properties of N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 441.55 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(methanesulfonamidomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 645531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).