N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide

C22H16ClN5O3S — CID 143250344

IUPACN-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide
SMILESCc1nc(SN)ccc1NC(=O)COc1ccc(Cl)cc1Oc1cc(C#N)cc(C#N)c1
InChIInChI=1S/C22H16ClN5O3S/c1-13-18(3-5-22(27-13)32-26)28-21(29)12-30-19-4-2-16(23)9-20(19)31-17-7-14(10-24)6-15(8-17)11-25/h2-9H,12,26H2,1H3,(H,28,29)
InChIKeyFTCGYLVUIISGGZ-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.56
Rot. Bonds7

About N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide

N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide (PubChem CID 143250344) has the molecular formula C22H16ClN5O3S and a molecular weight of 465.92 g/mol. Its IUPAC name is N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide
PubChem CID143250344
Molecular FormulaC22H16ClN5O3S
Molecular Weight465.92 g/mol
Exact Mass465.07
IUPAC NameN-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide
SMILESCc1nc(SN)ccc1NC(=O)COc1ccc(Cl)cc1Oc1cc(C#N)cc(C#N)c1
InChIInChI=1S/C22H16ClN5O3S/c1-13-18(3-5-22(27-13)32-26)28-21(29)12-30-19-4-2-16(23)9-20(19)31-17-7-14(10-24)6-15(8-17)11-25/h2-9H,12,26H2,1H3,(H,28,29)
InChIKeyFTCGYLVUIISGGZ-UHFFFAOYSA-N
XLogP4.56
TPSA134.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
CID 69077628
2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
CID 69076568
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16511735
2-[4-[2-[4-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]acetyl]phenoxy]acetic acid
CID 134816230
2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 4784997
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252194
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 28867327
N-(6-amino-2-methyl-3-pyridinyl)-2-(2-chlorophenoxy)acetamide
CID 82331060
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300

Frequently Asked Questions

What is the IUPAC name of N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide?
The IUPAC name of N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide (CID 143250344) is N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide.
What is the SMILES notation for N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide?
The canonical SMILES for N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide is Cc1nc(SN)ccc1NC(=O)COc1ccc(Cl)cc1Oc1cc(C#N)cc(C#N)c1.
What is the InChIKey of N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide?
The InChIKey is FTCGYLVUIISGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O3S/c1-13-18(3-5-22(27-13)32-26)28-21(29)12-30-19-4-2-16(23)9-20(19)31-17-7-14(10-24)6-15(8-17)11-25/h2-9H,12,26H2,1H3,(H,28,29).
What are the key properties of N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide?
N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide has a molecular weight of 465.92 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide is sourced from PubChem (CID 143250344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).