N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide

C19H23NO2S — CID 110007006

IUPACN-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide
SMILESCc1cccc(NC(=O)C(C)SCc2ccc(CO)cc2)c1C
InChIInChI=1S/C19H23NO2S/c1-13-5-4-6-18(14(13)2)20-19(22)15(3)23-12-17-9-7-16(11-21)8-10-17/h4-10,15,21H,11-12H2,1-3H3,(H,20,22)
InChIKeyZYVUJQQVLCHOHG-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.06
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide

N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide (PubChem CID 110007006) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide
PubChem CID110007006
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide
SMILESCc1cccc(NC(=O)C(C)SCc2ccc(CO)cc2)c1C
InChIInChI=1S/C19H23NO2S/c1-13-5-4-6-18(14(13)2)20-19(22)15(3)23-12-17-9-7-16(11-21)8-10-17/h4-10,15,21H,11-12H2,1-3H3,(H,20,22)
InChIKeyZYVUJQQVLCHOHG-UHFFFAOYSA-N
XLogP4.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82180417
S-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl] carbamothioate
CID 23765487
2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 110006995
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzoic acid
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2-[(3-bromophenyl)methylsulfanyl]-N-(3-chloro-2-methylphenyl)propanamide
CID 47011598
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
N-(5-amino-2-methylphenyl)-2-benzylsulfanylpropanamide
CID 43187440
(2S)-N-(2,3-dimethylphenyl)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730417
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea
CID 70615302
[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
CID 112630874

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide (CID 110007006) is N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide is Cc1cccc(NC(=O)C(C)SCc2ccc(CO)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide?
The InChIKey is ZYVUJQQVLCHOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-13-5-4-6-18(14(13)2)20-19(22)15(3)23-12-17-9-7-16(11-21)8-10-17/h4-10,15,21H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide?
N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide is sourced from PubChem (CID 110007006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).