N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide

C17H19NO2S — CID 107028237

IUPACN-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)Cc2ccc(S)cc2)cc1
InChIInChI=1S/C17H19NO2S/c1-2-11-20-15-7-5-14(6-8-15)18-17(19)12-13-3-9-16(21)10-4-13/h3-10,21H,2,11-12H2,1H3,(H,18,19)
InChIKeyYXJKAGWOYOSTOU-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.95
Rot. Bonds6

About N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide

N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107028237) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107028237
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)Cc2ccc(S)cc2)cc1
InChIInChI=1S/C17H19NO2S/c1-2-11-20-15-7-5-14(6-8-15)18-17(19)12-13-3-9-16(21)10-4-13/h3-10,21H,2,11-12H2,1H3,(H,18,19)
InChIKeyYXJKAGWOYOSTOU-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)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-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
2-(3-hydroxyphenyl)-N-(4-propoxyphenyl)acetamide
CID 62327820
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate
CID 55781621
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
2-(2-fluorophenyl)-N-(4-propoxyphenyl)acetamide
CID 110493409
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide
CID 4943277
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 60516641
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007

Frequently Asked Questions

What is the IUPAC name of N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide (CID 107028237) is N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide is CCCOc1ccc(NC(=O)Cc2ccc(S)cc2)cc1.
What is the InChIKey of N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is YXJKAGWOYOSTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-11-20-15-7-5-14(6-8-15)18-17(19)12-13-3-9-16(21)10-4-13/h3-10,21H,2,11-12H2,1H3,(H,18,19).
What are the key properties of N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide?
N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107028237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).