N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide

C22H24N4O7S — CID 25387230

IUPACN'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H24N4O7S/c1-15(33-18-6-3-16(14-23)4-7-18)21(27)24-25-22(28)17-5-8-19(31-2)20(13-17)34(29,30)26-9-11-32-12-10-26/h3-8,13,15H,9-12H2,1-2H3,(H,24,27)(H,25,28)/t15-/m0/s1
InChIKeyXCRFRWGJQMHQLO-HNNXBMFYSA-N
MW488.52 g/mol
LogP0.82
Rot. Bonds7

About N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide

N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 25387230) has the molecular formula C22H24N4O7S and a molecular weight of 488.52 g/mol. Its IUPAC name is N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID25387230
Molecular FormulaC22H24N4O7S
Molecular Weight488.52 g/mol
Exact Mass488.14
IUPAC NameN'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H24N4O7S/c1-15(33-18-6-3-16(14-23)4-7-18)21(27)24-25-22(28)17-5-8-19(31-2)20(13-17)34(29,30)26-9-11-32-12-10-26/h3-8,13,15H,9-12H2,1-2H3,(H,24,27)(H,25,28)/t15-/m0/s1
InChIKeyXCRFRWGJQMHQLO-HNNXBMFYSA-N
XLogP0.82
TPSA147.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16545878
N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55906470
(2S)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 7917142
4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24816759
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876
[1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42973039
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide
CID 43876928
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2676641
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide (CID 25387230) is N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide is COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is XCRFRWGJQMHQLO-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N4O7S/c1-15(33-18-6-3-16(14-23)4-7-18)21(27)24-25-22(28)17-5-8-19(31-2)20(13-17)34(29,30)26-9-11-32-12-10-26/h3-8,13,15H,9-12H2,1-2H3,(H,24,27)(H,25,28)/t15-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 488.52 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 25387230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).