2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide

C23H26N4O2S — CID 2080443

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H26N4O2S/c1-16(28)24-17-10-12-19(13-11-17)30-15-22(29)25-21-14-20(23(2,3)4)26-27(21)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyBDOVRKUJKAHILT-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.86
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide (PubChem CID 2080443) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
PubChem CID2080443
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H26N4O2S/c1-16(28)24-17-10-12-19(13-11-17)30-15-22(29)25-21-14-20(23(2,3)4)26-27(21)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyBDOVRKUJKAHILT-UHFFFAOYSA-N
XLogP4.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
1-(3-Tert-Butyl-1-Methyl-1h-Pyrazol-5-Yl)-3-[4-(Pyridin-4-Ylsulfanyl)phenyl]urea
CID 17941451
3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 770920
N-(4-(4-tert-butyl-6-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylthio)phenyl)propionamide
CID 23545854
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(pyridin-4-ylmethylsulfanyl)-phenyl]-urea
CID 44286082
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2125863
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532107
N-(2-(4-fluorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 4110361
2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
CID 4116919
1-[3-(2-Methylbutan-2-yl)-1-phenylpyrazol-5-yl]-3-phenylurea
CID 9841250
1-[1-(4-Aminophenyl)-3-tert-butylpyrazol-5-yl]-3-phenylurea
CID 10871795
1-(3-Aminophenyl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
CID 10882616

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide (CID 2080443) is 2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The InChIKey is BDOVRKUJKAHILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16(28)24-17-10-12-19(13-11-17)30-15-22(29)25-21-14-20(23(2,3)4)26-27(21)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 2080443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).