N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide

C18H21NO3S — CID 110005608

IUPACN-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CS(=O)Cc2ccc(CO)cc2)c1
InChIInChI=1S/C18H21NO3S/c1-13-3-4-14(2)17(9-13)19-18(21)12-23(22)11-16-7-5-15(10-20)6-8-16/h3-9,20H,10-12H2,1-2H3,(H,19,21)
InChIKeyLGYJQFDORDKPGE-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.68
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide

N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide (PubChem CID 110005608) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
PubChem CID110005608
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CS(=O)Cc2ccc(CO)cc2)c1
InChIInChI=1S/C18H21NO3S/c1-13-3-4-14(2)17(9-13)19-18(21)12-23(22)11-16-7-5-15(10-20)6-8-16/h3-9,20H,10-12H2,1-2H3,(H,19,21)
InChIKeyLGYJQFDORDKPGE-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
4-[[2-(2-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123106760
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997079
N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020877
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123388
N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112520811
2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
4-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123106737
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 8712604

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide (CID 110005608) is N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide is Cc1ccc(C)c(NC(=O)CS(=O)Cc2ccc(CO)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is LGYJQFDORDKPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13-3-4-14(2)17(9-13)19-18(21)12-23(22)11-16-7-5-15(10-20)6-8-16/h3-9,20H,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide?
N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 110005608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).