N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide

C21H23N3OS — CID 58418002

IUPACN-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide
SMILESCCc1ccc(C2=NN=C(SCC(=O)Nc3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C21H23N3OS/c1-4-16-5-7-17(8-6-16)19-12-21(24-23-19)26-13-20(25)22-18-10-14(2)9-15(3)11-18/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyPYPMGIXGEJWPDQ-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.74
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide

N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide (PubChem CID 58418002) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide
PubChem CID58418002
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide
SMILESCCc1ccc(C2=NN=C(SCC(=O)Nc3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C21H23N3OS/c1-4-16-5-7-17(8-6-16)19-12-21(24-23-19)26-13-20(25)22-18-10-14(2)9-15(3)11-18/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyPYPMGIXGEJWPDQ-UHFFFAOYSA-N
XLogP4.74
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide (CID 58418002) is N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide is CCc1ccc(C2=NN=C(SCC(=O)Nc3cc(C)cc(C)c3)C2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide?
The InChIKey is PYPMGIXGEJWPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-4-16-5-7-17(8-6-16)19-12-21(24-23-19)26-13-20(25)22-18-10-14(2)9-15(3)11-18/h5-11H,4,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide?
N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide has a molecular weight of 365.50 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4H-pyrazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 58418002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).