2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

C14H17N3OS — CID 60975429

IUPAC2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(CSCCc1ccccc1)NCc1ccn[nH]1
InChIInChI=1S/C14H17N3OS/c18-14(15-10-13-6-8-16-17-13)11-19-9-7-12-4-2-1-3-5-12/h1-6,8H,7,9-11H2,(H,15,18)(H,16,17)
InChIKeyXQPRLFKZXMHIKM-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.00
Rot. Bonds7

About 2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 60975429) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID60975429
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(CSCCc1ccccc1)NCc1ccn[nH]1
InChIInChI=1S/C14H17N3OS/c18-14(15-10-13-6-8-16-17-13)11-19-9-7-12-4-2-1-3-5-12/h1-6,8H,7,9-11H2,(H,15,18)(H,16,17)
InChIKeyXQPRLFKZXMHIKM-UHFFFAOYSA-N
XLogP2.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883436
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61284267
2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 62500320
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide
CID 100724139
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
2,2-diethyl-4-oxo-4-(1H-pyrazol-5-ylmethylamino)butanoic acid
CID 61285483
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 94032780
2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 131084161
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 60975429) is 2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide is O=C(CSCCc1ccccc1)NCc1ccn[nH]1.
What is the InChIKey of 2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is XQPRLFKZXMHIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-14(15-10-13-6-8-16-17-13)11-19-9-7-12-4-2-1-3-5-12/h1-6,8H,7,9-11H2,(H,15,18)(H,16,17).
What are the key properties of 2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 60975429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).