N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C22H21F3N4OS — CID 37483335

IUPACN-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C22H21F3N4OS/c1-15-2-8-19(9-3-15)29-14-26-27-21(29)31-13-20(30)28(18-10-11-18)12-16-4-6-17(7-5-16)22(23,24)25/h2-9,14,18H,10-13H2,1H3
InChIKeySTYIDRKAJZYYRU-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.88
Rot. Bonds7

About N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 37483335) has the molecular formula C22H21F3N4OS and a molecular weight of 446.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID37483335
Molecular FormulaC22H21F3N4OS
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC NameN-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C22H21F3N4OS/c1-15-2-8-19(9-3-15)29-14-26-27-21(29)31-13-20(30)28(18-10-11-18)12-16-4-6-17(7-5-16)22(23,24)25/h2-9,14,18H,10-13H2,1H3
InChIKeySTYIDRKAJZYYRU-UHFFFAOYSA-N
XLogP4.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N-methyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46418624
N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134004426
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 78844371
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17400402
N-(cyclopropylmethyl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 34832601
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 7571638
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41184824
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 17482656
2-[methyl-[2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 55535169
N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112842655
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9345012

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 37483335) is N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is STYIDRKAJZYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4OS/c1-15-2-8-19(9-3-15)29-14-26-27-21(29)31-13-20(30)28(18-10-11-18)12-16-4-6-17(7-5-16)22(23,24)25/h2-9,14,18H,10-13H2,1H3.
What are the key properties of N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 446.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 37483335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).