2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide

C25H24N2O2S — CID 55766106

IUPAC2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESN#Cc1ccc(CSCC(=O)NCc2ccc(COCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O2S/c26-14-20-6-12-24(13-7-20)18-30-19-25(28)27-15-21-8-10-23(11-9-21)17-29-16-22-4-2-1-3-5-22/h1-13H,15-19H2,(H,27,28)
InChIKeyJEGZWLMYYYMTQG-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.82
Rot. Bonds10

About 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide

2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide (PubChem CID 55766106) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
PubChem CID55766106
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESN#Cc1ccc(CSCC(=O)NCc2ccc(COCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O2S/c26-14-20-6-12-24(13-7-20)18-30-19-25(28)27-15-21-8-10-23(11-9-21)17-29-16-22-4-2-1-3-5-22/h1-13H,15-19H2,(H,27,28)
InChIKeyJEGZWLMYYYMTQG-UHFFFAOYSA-N
XLogP4.82
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide
CID 134035388
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967089
2-[(3-cyanophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8964627
2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 84554828
N-[3-[benzyl(methyl)amino]propyl]-2-[(4-cyanophenyl)methylsulfanyl]acetamide
CID 55738018
N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 86875214
2-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698338
N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110473207
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445375

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide (CID 55766106) is 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide is N#Cc1ccc(CSCC(=O)NCc2ccc(COCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is JEGZWLMYYYMTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c26-14-20-6-12-24(13-7-20)18-30-19-25(28)27-15-21-8-10-23(11-9-21)17-29-16-22-4-2-1-3-5-22/h1-13H,15-19H2,(H,27,28).
What are the key properties of 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 416.55 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55766106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).