3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide

C21H25N3O4S — CID 9060937

IUPAC3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/CCC[C@H](C)C2)c1
InChIInChI=1S/C21H25N3O4S/c1-15-7-5-9-17(13-15)22-23-21(25)16-8-6-10-18(14-16)29(26,27)24-19-11-3-4-12-20(19)28-2/h3-4,6,8,10-12,14-15,24H,5,7,9,13H2,1-2H3,(H,23,25)/b22-17-/t15-/m0/s1
InChIKeyCOZBPMKEFSDSQD-AKKXKAEUSA-N
MW415.52 g/mol
LogP3.79
Rot. Bonds6

About 3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide

3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide (PubChem CID 9060937) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
PubChem CID9060937
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/CCC[C@H](C)C2)c1
InChIInChI=1S/C21H25N3O4S/c1-15-7-5-9-17(13-15)22-23-21(25)16-8-6-10-18(14-16)29(26,27)24-19-11-3-4-12-20(19)28-2/h3-4,6,8,10-12,14-15,24H,5,7,9,13H2,1-2H3,(H,23,25)/b22-17-/t15-/m0/s1
InChIKeyCOZBPMKEFSDSQD-AKKXKAEUSA-N
XLogP3.79
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164421
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
3-iodo-4-methoxy-N-[[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 129460274
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide
CID 9060978
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 3440194
N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544059
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 51185857
N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24517530
3-(2,6-dimethylmorpholine-4-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 24981051

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide (CID 9060937) is 3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/CCC[C@H](C)C2)c1.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The InChIKey is COZBPMKEFSDSQD-AKKXKAEUSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-7-5-9-17(13-15)22-23-21(25)16-8-6-10-18(14-16)29(26,27)24-19-11-3-4-12-20(19)28-2/h3-4,6,8,10-12,14-15,24H,5,7,9,13H2,1-2H3,(H,23,25)/b22-17-/t15-/m0/s1.
What are the key properties of 3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide has a molecular weight of 415.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 9060937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).