3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide

C21H25N3O3S — CID 8979011

IUPAC3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N/N=C2/CCCC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C21H25N3O3S/c1-24(2)28(26,27)18-12-8-11-17(15-18)21(25)23-22-20-14-7-6-13-19(20)16-9-4-3-5-10-16/h3-5,8-12,15,19H,6-7,13-14H2,1-2H3,(H,23,25)/b22-20-/t19-/m1/s1
InChIKeyVYKGAMUFHCKPDK-WEACTYFJSA-N
MW399.52 g/mol
LogP3.38
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide

3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide (PubChem CID 8979011) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
PubChem CID8979011
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N/N=C2/CCCC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C21H25N3O3S/c1-24(2)28(26,27)18-12-8-11-17(15-18)21(25)23-22-20-14-7-6-13-19(20)16-9-4-3-5-10-16/h3-5,8-12,15,19H,6-7,13-14H2,1-2H3,(H,23,25)/b22-20-/t19-/m1/s1
InChIKeyVYKGAMUFHCKPDK-WEACTYFJSA-N
XLogP3.38
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
CID 8974483
3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
CID 9359935
3-[[(4-cyclohexylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 30873167
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide
CID 9060978
4-bromo-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]-1H-pyrrole-2-carboxamide
CID 8983404
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 7678486
N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide
CID 94101566
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
[4-[[[3-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8947695
2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide
CID 11935372
(NZ)-N-[(2S)-2-phenylcyclohexylidene]hydroxylamine
CID 92524008

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide (CID 8979011) is 3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)N/N=C2/CCCC[C@@H]2c2ccccc2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide?
The InChIKey is VYKGAMUFHCKPDK-WEACTYFJSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-24(2)28(26,27)18-12-8-11-17(15-18)21(25)23-22-20-14-7-6-13-19(20)16-9-4-3-5-10-16/h3-5,8-12,15,19H,6-7,13-14H2,1-2H3,(H,23,25)/b22-20-/t19-/m1/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide?
3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide has a molecular weight of 399.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 8979011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).