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

C19H18ClN3O2S — CID 1143134

IUPAC2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CSc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18ClN3O2S/c1-13-18(19(25)23(22(13)2)15-6-4-3-5-7-15)21-17(24)12-26-16-10-8-14(20)9-11-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyLTRDVWACUACZIF-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.87
Rot. Bonds5

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

2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 1143134) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
PubChem CID1143134
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CSc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18ClN3O2S/c1-13-18(19(25)23(22(13)2)15-6-4-3-5-7-15)21-17(24)12-26-16-10-8-14(20)9-11-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyLTRDVWACUACZIF-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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Related Compounds

4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 828338
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
3-[(4-chlorophenyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
CID 1208654
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591864
2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 4043438
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide
CID 4879562
3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol
CID 759518
2-[(4-chlorophenyl)sulfanyl]-N-phenylacetamide
CID 302745
1-Piperidineacetanilide, N-(2-((p-chlorophenyl)thio)ethyl)-
CID 24842497
4-(((4-Chlorophenyl)sulfonyl)amino)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
CID 1099010
2-[(2-chloro-6-fluorobenzyl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
CID 1251018
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(phenylsulfonyl)acetamide
CID 2222390

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 1143134) is 2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cc1c(NC(=O)CSc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The InChIKey is LTRDVWACUACZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-13-18(19(25)23(22(13)2)15-6-4-3-5-7-15)21-17(24)12-26-16-10-8-14(20)9-11-16/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
2-(4-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-(4-chlorophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 1143134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).