2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide

C23H26N2O3S — CID 60608438

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(SC2CCCCC2)cc1C
InChIInChI=1S/C23H26N2O3S/c1-16-12-19(29-18-6-4-3-5-7-18)9-10-20(16)25-23(26)15-28-21-11-8-17(14-24)13-22(21)27-2/h8-13,18H,3-7,15H2,1-2H3,(H,25,26)
InChIKeyATQMBFILTKVZFT-UHFFFAOYSA-N
MW410.54 g/mol
LogP5.32
Rot. Bonds7

About 2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide

2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide (PubChem CID 60608438) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide
PubChem CID60608438
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(SC2CCCCC2)cc1C
InChIInChI=1S/C23H26N2O3S/c1-16-12-19(29-18-6-4-3-5-7-18)9-10-20(16)25-23(26)15-28-21-11-8-17(14-24)13-22(21)27-2/h8-13,18H,3-7,15H2,1-2H3,(H,25,26)
InChIKeyATQMBFILTKVZFT-UHFFFAOYSA-N
XLogP5.32
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252194
2-(4-cyano-2-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7252101
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993139
(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 95164217
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492
2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2492539
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16959885
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16511735
2-(4-cyano-2-methoxyphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16511665

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide (CID 60608438) is 2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide is COc1cc(C#N)ccc1OCC(=O)Nc1ccc(SC2CCCCC2)cc1C.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide?
The InChIKey is ATQMBFILTKVZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16-12-19(29-18-6-4-3-5-7-18)9-10-20(16)25-23(26)15-28-21-11-8-17(14-24)13-22(21)27-2/h8-13,18H,3-7,15H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide has a molecular weight of 410.54 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide is sourced from PubChem (CID 60608438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).