3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide

C19H19N3O2S — CID 23973512

IUPAC3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide
SMILESCc1ccc(SCCC(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-7-9-16(10-8-14)25-12-11-18(23)20-17-13-19(24)22(21-17)15-5-3-2-4-6-15/h2-10,13,21H,11-12H2,1H3,(H,20,23)
InChIKeyORIYMBZUTYWUFP-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.59
Rot. Bonds6

About 3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide

3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide (PubChem CID 23973512) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide
PubChem CID23973512
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide
SMILESCc1ccc(SCCC(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-7-9-16(10-8-14)25-12-11-18(23)20-17-13-19(24)22(21-17)15-5-3-2-4-6-15/h2-10,13,21H,11-12H2,1H3,(H,20,23)
InChIKeyORIYMBZUTYWUFP-UHFFFAOYSA-N
XLogP3.59
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-3-(11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ylsulfanyl)propanamide
CID 23973167
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23861664
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
CID 94027994
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
N-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 17204050
N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
CID 16549377
(2S)-3-hydroxy-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid
CID 61151903
3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide
CID 4836158
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126119941
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide (CID 23973512) is 3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide is Cc1ccc(SCCC(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide?
The InChIKey is ORIYMBZUTYWUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-7-9-16(10-8-14)25-12-11-18(23)20-17-13-19(24)22(21-17)15-5-3-2-4-6-15/h2-10,13,21H,11-12H2,1H3,(H,20,23).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide?
3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide has a molecular weight of 353.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 23973512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).