2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C16H17F3N4O2S — CID 155949679

IUPAC2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)CS(=O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C16H17F3N4O2S/c1-23(8-10-3-2-4-12(7-10)16(17,18)19)13(24)9-26(25)15-20-14(21-22-15)11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21,22)
InChIKeyUFRGJRKOPAJILB-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.47
Rot. Bonds6

About 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 155949679) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID155949679
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)CS(=O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C16H17F3N4O2S/c1-23(8-10-3-2-4-12(7-10)16(17,18)19)13(24)9-26(25)15-20-14(21-22-15)11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21,22)
InChIKeyUFRGJRKOPAJILB-UHFFFAOYSA-N
XLogP2.47
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119737517
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 29182024
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 72940877
(2R)-N-methyl-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 146122046
2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide
CID 26315578
1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 122569454
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119297056
N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 155949679) is 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)CS(=O)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is UFRGJRKOPAJILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c1-23(8-10-3-2-4-12(7-10)16(17,18)19)13(24)9-26(25)15-20-14(21-22-15)11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21,22).
What are the key properties of 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 386.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 155949679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).