N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide

C19H23N3O3S — CID 9359863

IUPACN-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
SMILESC/C(=N/NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(C)ccc1C
InChIInChI=1S/C19H23N3O3S/c1-13-9-10-14(2)18(11-13)15(3)20-21-19(23)16-7-6-8-17(12-16)26(24,25)22(4)5/h6-12H,1-5H3,(H,21,23)/b20-15-
InChIKeySGHFDKCRFDYSFL-HKWRFOASSA-N
MW373.48 g/mol
LogP2.71
Rot. Bonds5

About N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide

N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide (PubChem CID 9359863) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
PubChem CID9359863
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
SMILESC/C(=N/NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(C)ccc1C
InChIInChI=1S/C19H23N3O3S/c1-13-9-10-14(2)18(11-13)15(3)20-21-19(23)16-7-6-8-17(12-16)26(24,25)22(4)5/h6-12H,1-5H3,(H,21,23)/b20-15-
InChIKeySGHFDKCRFDYSFL-HKWRFOASSA-N
XLogP2.71
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.71
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

N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 8826350
3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 43016473
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927
3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
CID 9359935
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233032
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092
N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 133231354
3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 4800647

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide (CID 9359863) is N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide is C/C(=N/NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(C)ccc1C.
What is the InChIKey of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is SGHFDKCRFDYSFL-HKWRFOASSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-9-10-14(2)18(11-13)15(3)20-21-19(23)16-7-6-8-17(12-16)26(24,25)22(4)5/h6-12H,1-5H3,(H,21,23)/b20-15-.
What are the key properties of N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 9359863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).