3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide

C22H27NO2S — CID 86961556

IUPAC3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide
SMILESCc1ccccc1CCC(=O)Nc1cccc(CSC2CCOCC2)c1
InChIInChI=1S/C22H27NO2S/c1-17-5-2-3-7-19(17)9-10-22(24)23-20-8-4-6-18(15-20)16-26-21-11-13-25-14-12-21/h2-8,15,21H,9-14,16H2,1H3,(H,23,24)
InChIKeyADJOXNJQDHCZJZ-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.98
Rot. Bonds7

About 3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide

3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide (PubChem CID 86961556) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide
PubChem CID86961556
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide
SMILESCc1ccccc1CCC(=O)Nc1cccc(CSC2CCOCC2)c1
InChIInChI=1S/C22H27NO2S/c1-17-5-2-3-7-19(17)9-10-22(24)23-20-8-4-6-18(15-20)16-26-21-11-13-25-14-12-21/h2-8,15,21H,9-14,16H2,1H3,(H,23,24)
InChIKeyADJOXNJQDHCZJZ-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide
CID 86961736
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide
CID 86961650
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 86961723
4-(4-chlorophenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-4-oxobutanamide
CID 86962233
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
CID 62365496
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 86961784
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]acetamide
CID 86961814
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide
CID 86961613
2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 119945597
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]acetamide
CID 86961821
(2S)-2-amino-4-methylsulfanyl-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]butanamide;hydrochloride
CID 119328938
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide
CID 71875712

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide (CID 86961556) is 3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide is Cc1ccccc1CCC(=O)Nc1cccc(CSC2CCOCC2)c1.
What is the InChIKey of 3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide?
The InChIKey is ADJOXNJQDHCZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-17-5-2-3-7-19(17)9-10-22(24)23-20-8-4-6-18(15-20)16-26-21-11-13-25-14-12-21/h2-8,15,21H,9-14,16H2,1H3,(H,23,24).
What are the key properties of 3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide?
3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide has a molecular weight of 369.53 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide is sourced from PubChem (CID 86961556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).