2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide

C17H21N3OS2 — CID 38797742

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cccc(C3SCCCS3)c2)n1
InChIInChI=1S/C17H21N3OS2/c1-12-9-13(2)20(19-12)11-16(21)18-15-6-3-5-14(10-15)17-22-7-4-8-23-17/h3,5-6,9-10,17H,4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyOYKXOJBASZRPOM-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.01
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide (PubChem CID 38797742) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
PubChem CID38797742
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cccc(C3SCCCS3)c2)n1
InChIInChI=1S/C17H21N3OS2/c1-12-9-13(2)20(19-12)11-16(21)18-15-6-3-5-14(10-15)17-22-7-4-8-23-17/h3,5-6,9-10,17H,4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyOYKXOJBASZRPOM-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 27843051
2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 46820366
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
CID 32967833
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27843163
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide
CID 35368286
N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 27842838
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 26380105
2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 78811101
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
2-(3,5-dimethylpyrazol-1-yl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
CID 60530681
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27842609

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide (CID 38797742) is 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide is Cc1cc(C)n(CC(=O)Nc2cccc(C3SCCCS3)c2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The InChIKey is OYKXOJBASZRPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-12-9-13(2)20(19-12)11-16(21)18-15-6-3-5-14(10-15)17-22-7-4-8-23-17/h3,5-6,9-10,17H,4,7-8,11H2,1-2H3,(H,18,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide has a molecular weight of 347.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide is sourced from PubChem (CID 38797742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).