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

C18H24N4O2S — CID 1160739

IUPACN-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1cccc(OCc2nnc(SCC(=O)NC3CCCC3)n2C)c1
InChIInChI=1S/C18H24N4O2S/c1-13-6-5-9-15(10-13)24-11-16-20-21-18(22(16)2)25-12-17(23)19-14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3,(H,19,23)
InChIKeyIUWYNKHNNRGPCL-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.85
Rot. Bonds7

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

N-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 1160739) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID1160739
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1cccc(OCc2nnc(SCC(=O)NC3CCCC3)n2C)c1
InChIInChI=1S/C18H24N4O2S/c1-13-6-5-9-15(10-13)24-11-16-20-21-18(22(16)2)25-12-17(23)19-14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3,(H,19,23)
InChIKeyIUWYNKHNNRGPCL-UHFFFAOYSA-N
XLogP2.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 1160739) is N-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1cccc(OCc2nnc(SCC(=O)NC3CCCC3)n2C)c1.
What is the InChIKey of N-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is IUWYNKHNNRGPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13-6-5-9-15(10-13)24-11-16-20-21-18(22(16)2)25-12-17(23)19-14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3,(H,19,23).
What are the key properties of N-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 1160739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).