4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide

C26H28N4O4S — CID 90448930

IUPAC4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide
SMILESNN(C(=O)c1ccc(CN2Cc3ccccc3C2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H28N4O4S/c27-30(24-9-11-25(12-10-24)35(32,33)29-13-15-34-16-14-29)26(31)21-7-5-20(6-8-21)17-28-18-22-3-1-2-4-23(22)19-28/h1-12H,13-19,27H2
InChIKeyGCVUKLGKXCACBO-UHFFFAOYSA-N
MW492.60 g/mol
LogP2.74
Rot. Bonds6

About 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide

4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide (PubChem CID 90448930) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide
PubChem CID90448930
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide
SMILESNN(C(=O)c1ccc(CN2Cc3ccccc3C2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H28N4O4S/c27-30(24-9-11-25(12-10-24)35(32,33)29-13-15-34-16-14-29)26(31)21-7-5-20(6-8-21)17-28-18-22-3-1-2-4-23(22)19-28/h1-12H,13-19,27H2
InChIKeyGCVUKLGKXCACBO-UHFFFAOYSA-N
XLogP2.74
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
CID 71063992
amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid
CID 175714348
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8502036
4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine
CID 59826304
(4-morpholin-4-ylsulfonylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 26467896
3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine
CID 170319766
N-benzyl-3-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 26731438
3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide
CID 47081612
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-[dihydroxy(morpholin-4-yl)-λ4-sulfanyl]phenyl]benzamide;molecular hydrogen
CID 144711652

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide?
The IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide (CID 90448930) is 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide is NN(C(=O)c1ccc(CN2Cc3ccccc3C2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide?
The InChIKey is GCVUKLGKXCACBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c27-30(24-9-11-25(12-10-24)35(32,33)29-13-15-34-16-14-29)26(31)21-7-5-20(6-8-21)17-28-18-22-3-1-2-4-23(22)19-28/h1-12H,13-19,27H2.
What are the key properties of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide?
4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide has a molecular weight of 492.60 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzohydrazide is sourced from PubChem (CID 90448930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).