N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide

C19H23N3O4S — CID 23557354

IUPACN'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide
SMILESO=C(CCCCCC(NC(=O)c1cccs1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C19H23N3O4S/c23-17(22-26)12-6-2-5-10-15(21-19(25)16-11-7-13-27-16)18(24)20-14-8-3-1-4-9-14/h1,3-4,7-9,11,13,15,26H,2,5-6,10,12H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyLMVPKTRCGGXYDS-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.94
Rot. Bonds10

About N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide

N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide (PubChem CID 23557354) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide
PubChem CID23557354
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide
SMILESO=C(CCCCCC(NC(=O)c1cccs1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C19H23N3O4S/c23-17(22-26)12-6-2-5-10-15(21-19(25)16-11-7-13-27-16)18(24)20-14-8-3-1-4-9-14/h1,3-4,7-9,11,13,15,26H,2,5-6,10,12H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyLMVPKTRCGGXYDS-UHFFFAOYSA-N
XLogP2.94
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide
CID 131854526
2-amino-N'-hydroxy-N-phenyloctanediamide
CID 89108892
2-benzamido-N'-nitroso-N-phenyloctanediamide
CID 163993312
(2S)-2-[(4-tert-butylphenyl)carbamoylamino]-N'-hydroxy-N-phenyloctanediamide
CID 11676844
2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide
CID 23557292
(2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide
CID 72946640
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
(2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide
CID 89190410
N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930
benzyl N-[(2S)-8-amino-1-anilino-1,8-dioxooctan-2-yl]carbamate
CID 90665505
N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide;methyl 8-anilino-8-oxo-7-prop-2-enoxyoctanoate
CID 159093312
N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]thiophene-2-carboxamide
CID 69323102

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide?
The IUPAC name of N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide (CID 23557354) is N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide.
What is the SMILES notation for N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide?
The canonical SMILES for N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide is O=C(CCCCCC(NC(=O)c1cccs1)C(=O)Nc1ccccc1)NO.
What is the InChIKey of N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide?
The InChIKey is LMVPKTRCGGXYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c23-17(22-26)12-6-2-5-10-15(21-19(25)16-11-7-13-27-16)18(24)20-14-8-3-1-4-9-14/h1,3-4,7-9,11,13,15,26H,2,5-6,10,12H2,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide?
N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide has a molecular weight of 389.48 g/mol, XLogP of 2.94, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide is sourced from PubChem (CID 23557354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).