(2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide

C16H17N5O3S — CID 44591545

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N5O3S/c17-15(8-13-9-18-10-19-13)16(22)20-21-25(23,24)14-6-5-11-3-1-2-4-12(11)7-14/h1-7,9-10,15,21H,8,17H2,(H,18,19)(H,20,22)/t15-/m0/s1
InChIKeyZINILSMVBBFIHF-HNNXBMFYSA-N
MW359.41 g/mol
LogP0.44
Rot. Bonds6

About (2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide

(2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide (PubChem CID 44591545) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide
PubChem CID44591545
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N5O3S/c17-15(8-13-9-18-10-19-13)16(22)20-21-25(23,24)14-6-5-11-3-1-2-4-12(11)7-14/h1-7,9-10,15,21H,8,17H2,(H,18,19)(H,20,22)/t15-/m0/s1
InChIKeyZINILSMVBBFIHF-HNNXBMFYSA-N
XLogP0.44
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 688489
[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
CID 7015308
(3S)-3-amino-4-(1H-imidazol-5-yl)-1-naphthalen-1-ylbutan-2-one;dihydrochloride
CID 44582648
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
CID 146440140
(2S)-2-amino-N-(3-chlorophenyl)-3-(1H-imidazol-5-yl)propanamide
CID 110837682
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoate;triphenylstannanylium
CID 71665565
N'-naphthalen-2-ylsulfonylpyridine-3-carbohydrazide
CID 808034
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid;dihydrate
CID 175739992
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)
CID 68767985
potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 70188416
2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyridine-2,6-dicarboxylic acid
CID 70576049

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide (CID 44591545) is (2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide is N[C@@H](Cc1cnc[nH]1)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide?
The InChIKey is ZINILSMVBBFIHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c17-15(8-13-9-18-10-19-13)16(22)20-21-25(23,24)14-6-5-11-3-1-2-4-12(11)7-14/h1-7,9-10,15,21H,8,17H2,(H,18,19)(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide?
(2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide has a molecular weight of 359.41 g/mol, XLogP of 0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide is sourced from PubChem (CID 44591545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).