2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C15H18ClN3O2S — CID 99839652

IUPAC2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCOc1ccc(Cl)c(CSCC(=O)Nc2cc(C)nn2C)c1
InChIInChI=1S/C15H18ClN3O2S/c1-10-6-14(19(2)18-10)17-15(20)9-22-8-11-7-12(21-3)4-5-13(11)16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyGLBNPPMPFDZQMO-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.26
Rot. Bonds6

About 2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 99839652) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID99839652
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCOc1ccc(Cl)c(CSCC(=O)Nc2cc(C)nn2C)c1
InChIInChI=1S/C15H18ClN3O2S/c1-10-6-14(19(2)18-10)17-15(20)9-22-8-11-7-12(21-3)4-5-13(11)16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyGLBNPPMPFDZQMO-UHFFFAOYSA-N
XLogP3.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrazol-3-yl)butanamide
CID 51307640
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766
2-[2-(2-chloro-5-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569778
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate
CID 141175690
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 55480827
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55469806
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55936393
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 95129214
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897632

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 99839652) is 2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is COc1ccc(Cl)c(CSCC(=O)Nc2cc(C)nn2C)c1.
What is the InChIKey of 2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is GLBNPPMPFDZQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10-6-14(19(2)18-10)17-15(20)9-22-8-11-7-12(21-3)4-5-13(11)16/h4-7H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 339.85 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 99839652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).