N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C17H23N5O3S — CID 1088676

IUPACN-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)c1
InChIInChI=1S/C17H23N5O3S/c1-21-15(11-22-6-8-25-9-7-22)19-20-17(21)26-12-16(23)18-13-4-3-5-14(10-13)24-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,23)
InChIKeyJDUCUFSHTGEQPP-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.39
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 1088676) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID1088676
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)c1
InChIInChI=1S/C17H23N5O3S/c1-21-15(11-22-6-8-25-9-7-22)19-20-17(21)26-12-16(23)18-13-4-3-5-14(10-13)24-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,23)
InChIKeyJDUCUFSHTGEQPP-UHFFFAOYSA-N
XLogP1.39
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 1088676) is N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is COc1cccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is JDUCUFSHTGEQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-21-15(11-22-6-8-25-9-7-22)19-20-17(21)26-12-16(23)18-13-4-3-5-14(10-13)24-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,23).
What are the key properties of N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 1088676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).