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

C19H25FN4OS — CID 55745995

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C19H25FN4OS/c1-14(2)24-13-22-23-18(24)26-11-17(25)21-12-19(9-3-4-10-19)15-5-7-16(20)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,21,25)
InChIKeyQJBVVONBKAJODH-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.72
Rot. Bonds7

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

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 55745995) has the molecular formula C19H25FN4OS and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID55745995
Molecular FormulaC19H25FN4OS
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C19H25FN4OS/c1-14(2)24-13-22-23-18(24)26-11-17(25)21-12-19(9-3-4-10-19)15-5-7-16(20)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,21,25)
InChIKeyQJBVVONBKAJODH-UHFFFAOYSA-N
XLogP3.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 55745995) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)n1cnnc1SCC(=O)NCC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QJBVVONBKAJODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4OS/c1-14(2)24-13-22-23-18(24)26-11-17(25)21-12-19(9-3-4-10-19)15-5-7-16(20)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,21,25).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 55745995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).