N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

C26H24N4O3S — CID 112824078

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C26H24N4O3S/c1-19-9-5-6-14-23(19)25-24(18-29(28-25)21-11-3-2-4-12-21)26(31)27-20-10-7-13-22(17-20)30-15-8-16-34(30,32)33/h2-7,9-14,17-18H,8,15-16H2,1H3,(H,27,31)
InChIKeyGVCSDFTZWWGBFZ-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.64
Rot. Bonds5

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 112824078) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID112824078
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C26H24N4O3S/c1-19-9-5-6-14-23(19)25-24(18-29(28-25)21-11-3-2-4-12-21)26(31)27-20-10-7-13-22(17-20)30-15-8-16-34(30,32)33/h2-7,9-14,17-18H,8,15-16H2,1H3,(H,27,31)
InChIKeyGVCSDFTZWWGBFZ-UHFFFAOYSA-N
XLogP4.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
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N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
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3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 112824078) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is GVCSDFTZWWGBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-19-9-5-6-14-23(19)25-24(18-29(28-25)21-11-3-2-4-12-21)26(31)27-20-10-7-13-22(17-20)30-15-8-16-34(30,32)33/h2-7,9-14,17-18H,8,15-16H2,1H3,(H,27,31).
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112824078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).