(2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide

C16H19N3O3S — CID 132520532

IUPAC(2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-7-9-14(10-8-12)23(21,22)19-18-16(20)15(17)11-13-5-3-2-4-6-13/h2-10,15,19H,11,17H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyZWSCETSGUBZWAB-HNNXBMFYSA-N
MW333.41 g/mol
LogP0.87
Rot. Bonds6

About (2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide

(2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide (PubChem CID 132520532) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide.

Molecular Properties

Compound Name(2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide
PubChem CID132520532
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-7-9-14(10-8-12)23(21,22)19-18-16(20)15(17)11-13-5-3-2-4-6-13/h2-10,15,19H,11,17H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyZWSCETSGUBZWAB-HNNXBMFYSA-N
XLogP0.87
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[(2R)-2-amino-3-phenylpropanoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 131888129
(2S)-2-amino-3-phenylpropanoic acid;4-methylbenzenesulfonic acid
CID 13000996
N-[4-[[[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]sulfamoyl]phenyl]benzamide
CID 171980397
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287725
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287274
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
2-amino-N-ethylsulfonyl-3-phenylpropanamide
CID 103307138
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide?
The IUPAC name of (2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide (CID 132520532) is (2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide.
What is the SMILES notation for (2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide?
The canonical SMILES for (2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide is Cc1ccc(S(=O)(=O)NNC(=O)[C@@H](N)Cc2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide?
The InChIKey is ZWSCETSGUBZWAB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-7-9-14(10-8-12)23(21,22)19-18-16(20)15(17)11-13-5-3-2-4-6-13/h2-10,15,19H,11,17H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide?
(2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide has a molecular weight of 333.41 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide is sourced from PubChem (CID 132520532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).