N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C24H26N4O3S — CID 1154832

IUPACN,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(COc2cccc3ccccc23)n1Cc1ccco1
InChIInChI=1S/C24H26N4O3S/c1-3-27(4-2)23(29)17-32-24-26-25-22(28(24)15-19-11-8-14-30-19)16-31-21-13-7-10-18-9-5-6-12-20(18)21/h5-14H,3-4,15-17H2,1-2H3
InChIKeyZODXWMIEGQIGIV-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.61
Rot. Bonds10

About N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 1154832) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID1154832
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(COc2cccc3ccccc23)n1Cc1ccco1
InChIInChI=1S/C24H26N4O3S/c1-3-27(4-2)23(29)17-32-24-26-25-22(28(24)15-19-11-8-14-30-19)16-31-21-13-7-10-18-9-5-6-12-20(18)21/h5-14H,3-4,15-17H2,1-2H3
InChIKeyZODXWMIEGQIGIV-UHFFFAOYSA-N
XLogP4.61
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-benzyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 1153808
2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 2047645
2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
CID 78764172
N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43812670
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[[4-(furan-2-ylmethyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 1154853
N-cyclohexyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1176929
2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1072542
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 650460
2-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 1163363
2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 1154870
1-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 664961
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 1163752

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 1154832) is N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCN(CC)C(=O)CSc1nnc(COc2cccc3ccccc23)n1Cc1ccco1.
What is the InChIKey of N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is ZODXWMIEGQIGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-3-27(4-2)23(29)17-32-24-26-25-22(28(24)15-19-11-8-14-30-19)16-31-21-13-7-10-18-9-5-6-12-20(18)21/h5-14H,3-4,15-17H2,1-2H3.
What are the key properties of N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 450.56 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 1154832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).