2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide

C19H23NO2S — CID 110006995

IUPAC2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)SCc2ccc(CO)cc2)cc1
InChIInChI=1S/C19H23NO2S/c1-14-3-5-16(6-4-14)11-20-19(22)15(2)23-13-18-9-7-17(12-21)8-10-18/h3-10,15,21H,11-13H2,1-2H3,(H,20,22)
InChIKeyGYADDBSGRGTDBN-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.43
Rot. Bonds7

About 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide

2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 110006995) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID110006995
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)SCc2ccc(CO)cc2)cc1
InChIInChI=1S/C19H23NO2S/c1-14-3-5-16(6-4-14)11-20-19(22)15(2)23-13-18-9-7-17(12-21)8-10-18/h3-10,15,21H,11-13H2,1-2H3,(H,20,22)
InChIKeyGYADDBSGRGTDBN-UHFFFAOYSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 110006919
2-[(4-bromophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 4885088
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide
CID 110007006
N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 47119370
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide
CID 42950256
(2S)-N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 9304932
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 9305174

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide (CID 110006995) is 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)SCc2ccc(CO)cc2)cc1.
What is the InChIKey of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is GYADDBSGRGTDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-3-5-16(6-4-14)11-20-19(22)15(2)23-13-18-9-7-17(12-21)8-10-18/h3-10,15,21H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 110006995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).