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

C19H26N4O3S — CID 1172790

IUPACN-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(COc2cccc(OC)c2)nnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C19H26N4O3S/c1-3-23-17(12-26-16-10-6-9-15(11-16)25-2)21-22-19(23)27-13-18(24)20-14-7-4-5-8-14/h6,9-11,14H,3-5,7-8,12-13H2,1-2H3,(H,20,24)
InChIKeyAGJWHTZWYNKTEO-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.04
Rot. Bonds9

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

N-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 1172790) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID1172790
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(COc2cccc(OC)c2)nnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C19H26N4O3S/c1-3-23-17(12-26-16-10-6-9-15(11-16)25-2)21-22-19(23)27-13-18(24)20-14-7-4-5-8-14/h6,9-11,14H,3-5,7-8,12-13H2,1-2H3,(H,20,24)
InChIKeyAGJWHTZWYNKTEO-UHFFFAOYSA-N
XLogP3.04
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 1172790) is N-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is AGJWHTZWYNKTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-3-23-17(12-26-16-10-6-9-15(11-16)25-2)21-22-19(23)27-13-18(24)20-14-7-4-5-8-14/h6,9-11,14H,3-5,7-8,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 1172790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).