(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide

C25H23N3O2S — CID 1221916

IUPAC(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23N3O2S/c1-18-22(25(30)28(27(18)2)20-14-8-4-9-15-20)26-24(29)23(19-12-6-3-7-13-19)31-21-16-10-5-11-17-21/h3-17,23H,1-2H3,(H,26,29)/t23-/m1/s1
InChIKeyGGZYACIWNQYFRD-HSZRJFAPSA-N
MW429.55 g/mol
LogP4.96
Rot. Bonds6

About (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide

(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 1221916) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID1221916
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23N3O2S/c1-18-22(25(30)28(27(18)2)20-14-8-4-9-15-20)26-24(29)23(19-12-6-3-7-13-19)31-21-16-10-5-11-17-21/h3-17,23H,1-2H3,(H,26,29)/t23-/m1/s1
InChIKeyGGZYACIWNQYFRD-HSZRJFAPSA-N
XLogP4.96
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylacetamide
CID 21171403
2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18912624
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methoxy-2-phenylacetamide
CID 40612688
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylbutanamide
CID 23801450
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4583375
N-[(Z)-3-[4-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 19715036
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide
CID 3047143
N-[4-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 23097974
2-benzylsulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 2899652
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pentanamide
CID 119261464
[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7227503

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide (CID 1221916) is (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide is Cc1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is GGZYACIWNQYFRD-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-18-22(25(30)28(27(18)2)20-14-8-4-9-15-20)26-24(29)23(19-12-6-3-7-13-19)31-21-16-10-5-11-17-21/h3-17,23H,1-2H3,(H,26,29)/t23-/m1/s1.
What are the key properties of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide?
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 429.55 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 1221916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).