2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

C19H18ClN3O2S — CID 2330642

IUPAC2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CSc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18ClN3O2S/c1-13-18(19(25)23(22(13)2)14-8-4-3-5-9-14)21-17(24)12-26-16-11-7-6-10-15(16)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyDISUGLSIPNCQMA-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.87
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 2330642) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
PubChem CID2330642
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CSc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18ClN3O2S/c1-13-18(19(25)23(22(13)2)14-8-4-3-5-9-14)21-17(24)12-26-16-11-7-6-10-15(16)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyDISUGLSIPNCQMA-UHFFFAOYSA-N
XLogP3.87
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 2330642) is 2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cc1c(NC(=O)CSc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The InChIKey is DISUGLSIPNCQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-13-18(19(25)23(22(13)2)14-8-4-3-5-9-14)21-17(24)12-26-16-11-7-6-10-15(16)20/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has a molecular weight of 387.89 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 2330642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).