(2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide

C18H24N4O3S — CID 155953207

IUPAC(2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide
SMILESCSCC[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(N)=O
InChIInChI=1S/C18H24N4O3S/c1-26-12-10-15(18(19)25)20-16(23)7-8-17(24)22-11-9-14(21-22)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3,(H2,19,25)(H,20,23)/t15-/m0/s1
InChIKeySRYHHTHNKAWOEI-HNNXBMFYSA-N
MW376.48 g/mol
LogP1.13
Rot. Bonds9

About (2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide

(2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide (PubChem CID 155953207) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is (2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide.

Molecular Properties

Compound Name(2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide
PubChem CID155953207
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name(2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide
SMILESCSCC[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(N)=O
InChIInChI=1S/C18H24N4O3S/c1-26-12-10-15(18(19)25)20-16(23)7-8-17(24)22-11-9-14(21-22)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3,(H2,19,25)(H,20,23)/t15-/m0/s1
InChIKeySRYHHTHNKAWOEI-HNNXBMFYSA-N
XLogP1.13
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide 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

N-(5-methylhexan-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 134035790
N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51164409
4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55867468
N-(4-anilinophenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18292961
N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18108648
N-[(1S,2R)-2-ethylcyclopropyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 95628026
N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906651
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 6993422
N-[1-(3-bromophenyl)cyclobutyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55982191
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 30236494
4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-N-(2,4,6-trimethylphenyl)butanamide
CID 43000861
N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55947302

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide?
The IUPAC name of (2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide (CID 155953207) is (2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide.
What is the SMILES notation for (2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide?
The canonical SMILES for (2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide is CSCC[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(N)=O.
What is the InChIKey of (2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide?
The InChIKey is SRYHHTHNKAWOEI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-26-12-10-15(18(19)25)20-16(23)7-8-17(24)22-11-9-14(21-22)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3,(H2,19,25)(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide?
(2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide has a molecular weight of 376.48 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide is sourced from PubChem (CID 155953207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).