(2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide

C18H25N3O5S2 — CID 89190410

IUPAC(2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide
SMILESO=C(CCCCC[C@H](NS(=O)(=O)C1CC=CS1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C18H25N3O5S2/c22-16(20-24)11-6-2-5-10-15(18(23)19-14-8-3-1-4-9-14)21-28(25,26)17-12-7-13-27-17/h1,3-4,7-9,13,15,17,21,24H,2,5-6,10-12H2,(H,19,23)(H,20,22)/t15-,17?/m0/s1
InChIKeyKJRFIZFRHQYNEZ-MYJWUSKBSA-N
MW427.55 g/mol
LogP2.35
Rot. Bonds11

About (2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide

(2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide (PubChem CID 89190410) has the molecular formula C18H25N3O5S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide
PubChem CID89190410
Molecular FormulaC18H25N3O5S2
Molecular Weight427.55 g/mol
Exact Mass427.12
IUPAC Name(2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide
SMILESO=C(CCCCC[C@H](NS(=O)(=O)C1CC=CS1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C18H25N3O5S2/c22-16(20-24)11-6-2-5-10-15(18(23)19-14-8-3-1-4-9-14)21-28(25,26)17-12-7-13-27-17/h1,3-4,7-9,13,15,17,21,24H,2,5-6,10-12H2,(H,19,23)(H,20,22)/t15-,17?/m0/s1
InChIKeyKJRFIZFRHQYNEZ-MYJWUSKBSA-N
XLogP2.35
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide
CID 23557292
N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide
CID 23557354
(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide
CID 131854526
2-amino-N'-hydroxy-N-phenyloctanediamide
CID 89108892
(2S)-2-[(4-tert-butylphenyl)carbamoylamino]-N'-hydroxy-N-phenyloctanediamide
CID 11676844
(2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide
CID 72946640
N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930
N'-hydroxy-N-phenyloctanediamide;piperazine
CID 24824516
2-benzamido-N'-nitroso-N-phenyloctanediamide
CID 163993312
2-(1-aminoethylidenecarbamothioyl)-N'-hydroxy-N-phenyloctanediamide
CID 143658232
(2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide
CID 25197367
N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide;methyl 8-anilino-8-oxo-7-prop-2-enoxyoctanoate
CID 159093312

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide?
The IUPAC name of (2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide (CID 89190410) is (2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide.
What is the SMILES notation for (2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide?
The canonical SMILES for (2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide is O=C(CCCCC[C@H](NS(=O)(=O)C1CC=CS1)C(=O)Nc1ccccc1)NO.
What is the InChIKey of (2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide?
The InChIKey is KJRFIZFRHQYNEZ-MYJWUSKBSA-N. The full InChI is InChI=1S/C18H25N3O5S2/c22-16(20-24)11-6-2-5-10-15(18(23)19-14-8-3-1-4-9-14)21-28(25,26)17-12-7-13-27-17/h1,3-4,7-9,13,15,17,21,24H,2,5-6,10-12H2,(H,19,23)(H,20,22)/t15-,17?/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide?
(2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide has a molecular weight of 427.55 g/mol, XLogP of 2.35, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide is sourced from PubChem (CID 89190410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).