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

C20H27Cl2N5O2S — CID 46445394

IUPACN-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCC(CNC(=O)CSc1nnc(N2CCOCC2)n1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H27Cl2N5O2S/c1-3-4-14(16-6-5-15(21)11-17(16)22)12-23-18(28)13-30-20-25-24-19(26(20)2)27-7-9-29-10-8-27/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3,(H,23,28)
InChIKeyWJOJQFVDAMDIPL-UHFFFAOYSA-N
MW472.44 g/mol
LogP3.75
Rot. Bonds9

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

N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 46445394) has the molecular formula C20H27Cl2N5O2S and a molecular weight of 472.44 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID46445394
Molecular FormulaC20H27Cl2N5O2S
Molecular Weight472.44 g/mol
Exact Mass471.13
IUPAC NameN-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCC(CNC(=O)CSc1nnc(N2CCOCC2)n1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H27Cl2N5O2S/c1-3-4-14(16-6-5-15(21)11-17(16)22)12-23-18(28)13-30-20-25-24-19(26(20)2)27-7-9-29-10-8-27/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3,(H,23,28)
InChIKeyWJOJQFVDAMDIPL-UHFFFAOYSA-N
XLogP3.75
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2394366
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide
CID 40794964
N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 25466393
N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 2430999
N-[2-(2,4-dichlorophenyl)pentyl]-2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3943779
N-(3,4-dichlorophenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8838182
N-(3,4-dichlorophenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1088767
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 8838297
N-(4-chlorophenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1088677
N-[(2-chlorophenyl)methyl]-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134117
[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16617601
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 53338622

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 46445394) is N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCC(CNC(=O)CSc1nnc(N2CCOCC2)n1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is WJOJQFVDAMDIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N5O2S/c1-3-4-14(16-6-5-15(21)11-17(16)22)12-23-18(28)13-30-20-25-24-19(26(20)2)27-7-9-29-10-8-27/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3,(H,23,28).
What are the key properties of N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 472.44 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 46445394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).