2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

C20H21N3OS — CID 41412961

IUPAC2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCc1ccc(SCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3OS/c1-16-3-9-19(10-4-16)25-15-20(24)21-13-11-17-5-7-18(8-6-17)23-14-2-12-22-23/h2-10,12,14H,11,13,15H2,1H3,(H,21,24)
InChIKeyWFWMBESMBFGABA-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.63
Rot. Bonds7

About 2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 41412961) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID41412961
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCc1ccc(SCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3OS/c1-16-3-9-19(10-4-16)25-15-20(24)21-13-11-17-5-7-18(8-6-17)23-14-2-12-22-23/h2-10,12,14H,11,13,15H2,1H3,(H,21,24)
InChIKeyWFWMBESMBFGABA-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]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-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30526445
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 30102749
3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 26081756
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30101688
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525976
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 26569763
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412698

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (CID 41412961) is 2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is Cc1ccc(SCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is WFWMBESMBFGABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-16-3-9-19(10-4-16)25-15-20(24)21-13-11-17-5-7-18(8-6-17)23-14-2-12-22-23/h2-10,12,14H,11,13,15H2,1H3,(H,21,24).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 351.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 41412961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).