2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide

C17H20ClN5O3S — CID 42164515

IUPAC2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCn1cc(C(=O)N2CCSCC2)nn1
InChIInChI=1S/C17H20ClN5O3S/c18-13-3-1-2-4-15(13)26-12-16(24)19-5-6-23-11-14(20-21-23)17(25)22-7-9-27-10-8-22/h1-4,11H,5-10,12H2,(H,19,24)
InChIKeyRZLZAPWPQUUKRZ-UHFFFAOYSA-N
MW409.90 g/mol
LogP1.32
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide

2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide (PubChem CID 42164515) has the molecular formula C17H20ClN5O3S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide
PubChem CID42164515
Molecular FormulaC17H20ClN5O3S
Molecular Weight409.90 g/mol
Exact Mass409.10
IUPAC Name2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCn1cc(C(=O)N2CCSCC2)nn1
InChIInChI=1S/C17H20ClN5O3S/c18-13-3-1-2-4-15(13)26-12-16(24)19-5-6-23-11-14(20-21-23)17(25)22-7-9-27-10-8-22/h1-4,11H,5-10,12H2,(H,19,24)
InChIKeyRZLZAPWPQUUKRZ-UHFFFAOYSA-N
XLogP1.32
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]triazol-4-yl]-thiomorpholin-4-ylmethanone
CID 26359596
2-(2-chlorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026861
2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide
CID 166178541
1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62581074
N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide
CID 25306522
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide
CID 42189042
2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
CID 23607173
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
2-(2-chlorophenoxy)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654382
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
N-(2-amino-2-ethylbutyl)-2-(2-chlorophenoxy)acetamide
CID 119641891

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide (CID 42164515) is 2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide is O=C(COc1ccccc1Cl)NCCn1cc(C(=O)N2CCSCC2)nn1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide?
The InChIKey is RZLZAPWPQUUKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O3S/c18-13-3-1-2-4-15(13)26-12-16(24)19-5-6-23-11-14(20-21-23)17(25)22-7-9-27-10-8-22/h1-4,11H,5-10,12H2,(H,19,24).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide?
2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide has a molecular weight of 409.90 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 42164515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).