N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide

C18H14Cl2N4O2S — CID 101272246

IUPACN-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1)NCc1ccccc1
InChIInChI=1S/C18H14Cl2N4O2S/c19-16-22-17(20)24-18(23-16)26-13-6-8-14(9-7-13)27-11-15(25)21-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,25)
InChIKeyZNJZWTSJGHWHCD-UHFFFAOYSA-N
MW421.31 g/mol
LogP4.38
Rot. Bonds7

About N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide

N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide (PubChem CID 101272246) has the molecular formula C18H14Cl2N4O2S and a molecular weight of 421.31 g/mol. Its IUPAC name is N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide
PubChem CID101272246
Molecular FormulaC18H14Cl2N4O2S
Molecular Weight421.31 g/mol
Exact Mass420.02
IUPAC NameN-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1)NCc1ccccc1
InChIInChI=1S/C18H14Cl2N4O2S/c19-16-22-17(20)24-18(23-16)26-13-6-8-14(9-7-13)27-11-15(25)21-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,25)
InChIKeyZNJZWTSJGHWHCD-UHFFFAOYSA-N
XLogP4.38
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
N-[[4-(chloromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233249
2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43909294
2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine
CID 54075621
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
N-[[4-(bromomethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233586
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
CID 112816195
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41287271
N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 62501307
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide (CID 101272246) is N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide is O=C(CSc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide?
The InChIKey is ZNJZWTSJGHWHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2S/c19-16-22-17(20)24-18(23-16)26-13-6-8-14(9-7-13)27-11-15(25)21-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,25).
What are the key properties of N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide?
N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide has a molecular weight of 421.31 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide is sourced from PubChem (CID 101272246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).