N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

C24H28N4OS — CID 16518606

IUPACN-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)C3CCCCC3)n2C)cc1
InChIInChI=1S/C24H28N4OS/c1-18-13-15-19(16-14-18)23-25-26-24(27(23)2)30-17-22(29)28(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17H2,1-2H3
InChIKeyFGWDYLFKIWAAJY-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.25
Rot. Bonds6

About N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 16518606) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
PubChem CID16518606
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC NameN-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)C3CCCCC3)n2C)cc1
InChIInChI=1S/C24H28N4OS/c1-18-13-15-19(16-14-18)23-25-26-24(27(23)2)30-17-22(29)28(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17H2,1-2H3
InChIKeyFGWDYLFKIWAAJY-UHFFFAOYSA-N
XLogP5.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 17452213
N-cyclohexyl-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 2687171
N,N-dimethyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16518620
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide
CID 7300163
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide
CID 7977553
(2S)-N-cyclopentyl-2-(4-fluorophenyl)-2-(N-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)acetamide
CID 98091759
2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methylacetamide
CID 50853043
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 864882
N-methyl-N-[(4-methylphenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895645
N-cyclohexyl-N-methyl-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 78764038
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide
CID 9450800
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 3149050

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 16518606) is N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is Cc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)C3CCCCC3)n2C)cc1.
What is the InChIKey of N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is FGWDYLFKIWAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-18-13-15-19(16-14-18)23-25-26-24(27(23)2)30-17-22(29)28(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 420.58 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 16518606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).