2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide

C23H24N2O2S — CID 55707046

IUPAC2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
SMILESCc1cccc(CSCC(=O)NCc2ccnc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H24N2O2S/c1-18-6-5-9-21(12-18)16-28-17-22(26)25-14-20-10-11-24-23(13-20)27-15-19-7-3-2-4-8-19/h2-13H,14-17H2,1H3,(H,25,26)
InChIKeyAHZXWMBKNXXLHA-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.52
Rot. Bonds9

About 2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide

2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide (PubChem CID 55707046) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
PubChem CID55707046
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
SMILESCc1cccc(CSCC(=O)NCc2ccnc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H24N2O2S/c1-18-6-5-9-21(12-18)16-28-17-22(26)25-14-20-10-11-24-23(13-20)27-15-19-7-3-2-4-8-19/h2-13H,14-17H2,1H3,(H,25,26)
InChIKeyAHZXWMBKNXXLHA-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-N-(pyridin-4-ylmethyl)acetamide
CID 47099586
N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 86982561
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569128
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide
CID 55707023
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55715793
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
CID 171787172
1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea
CID 86864428

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide (CID 55707046) is 2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide is Cc1cccc(CSCC(=O)NCc2ccnc(OCc3ccccc3)c2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide?
The InChIKey is AHZXWMBKNXXLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-18-6-5-9-21(12-18)16-28-17-22(26)25-14-20-10-11-24-23(13-20)27-15-19-7-3-2-4-8-19/h2-13H,14-17H2,1H3,(H,25,26).
What are the key properties of 2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide?
2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide has a molecular weight of 392.52 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55707046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).