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

C17H19FN4OS — CID 17443709

IUPACN-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
SMILESCn1c(SC(C(=O)NC2CC2)c2ccc(F)cc2)nnc1C1CC1
InChIInChI=1S/C17H19FN4OS/c1-22-15(11-2-3-11)20-21-17(22)24-14(16(23)19-13-8-9-13)10-4-6-12(18)7-5-10/h4-7,11,13-14H,2-3,8-9H2,1H3,(H,19,23)
InChIKeyOJJJRVAKCGOSLI-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.94
Rot. Bonds6

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

N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide (PubChem CID 17443709) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
PubChem CID17443709
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC NameN-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
SMILESCn1c(SC(C(=O)NC2CC2)c2ccc(F)cc2)nnc1C1CC1
InChIInChI=1S/C17H19FN4OS/c1-22-15(11-2-3-11)20-21-17(22)24-14(16(23)19-13-8-9-13)10-4-6-12(18)7-5-10/h4-7,11,13-14H,2-3,8-9H2,1H3,(H,19,23)
InChIKeyOJJJRVAKCGOSLI-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[[5-(1,1-dioxothiolan-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 46659646
N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16601843
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40790131
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 41433682
N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide
CID 16589309
(2S)-N-(2-chloro-4-fluorophenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7426822
2-[[5-(1,1-dioxothiolan-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 46642266
(2R)-N-cyclopropyl-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 27697174
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 40790129
(2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 41183068
2-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16594057
N-cyclopropyl-2-(4-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16594395

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide (CID 17443709) is N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide is Cn1c(SC(C(=O)NC2CC2)c2ccc(F)cc2)nnc1C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is OJJJRVAKCGOSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-22-15(11-2-3-11)20-21-17(22)24-14(16(23)19-13-8-9-13)10-4-6-12(18)7-5-10/h4-7,11,13-14H,2-3,8-9H2,1H3,(H,19,23).
What are the key properties of N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide?
N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 17443709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).