2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C14H17N3OS — CID 103856658

IUPAC2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)CSCc1ccccc1)c1cn[nH]c1
InChIInChI=1S/C14H17N3OS/c1-11(13-7-15-16-8-13)17-14(18)10-19-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyQHWZWLQWDQQDSJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.52
Rot. Bonds6

About 2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103856658) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103856658
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)CSCc1ccccc1)c1cn[nH]c1
InChIInChI=1S/C14H17N3OS/c1-11(13-7-15-16-8-13)17-14(18)10-19-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyQHWZWLQWDQQDSJ-UHFFFAOYSA-N
XLogP2.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)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

2-[(4-methylphenyl)methylsulfanyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856144
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
3-methyl-3-phenyl-N,N'-bis[1-(1H-pyrazol-4-yl)ethyl]pentanediamide
CID 166185847
2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 7377224
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809
methyl 2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetate
CID 18078994
2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856392
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide
CID 43000872
3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856287

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103856658) is 2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)CSCc1ccccc1)c1cn[nH]c1.
What is the InChIKey of 2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is QHWZWLQWDQQDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-11(13-7-15-16-8-13)17-14(18)10-19-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103856658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).