N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide

C30H28N4O4S — CID 98123917

IUPACN-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C30H28N4O4S/c1-22(25-16-11-17-26(20-25)31-29(35)24-14-7-4-8-15-24)32-33-30(36)27-18-9-10-19-28(27)34(39(2,37)38)21-23-12-5-3-6-13-23/h3-20H,21H2,1-2H3,(H,31,35)(H,33,36)/b32-22-
InChIKeyYYGQCZQMIFIERT-JDCMOKTRSA-N
MW540.65 g/mol
LogP5.06
Rot. Bonds9

About N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide

N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide (PubChem CID 98123917) has the molecular formula C30H28N4O4S and a molecular weight of 540.65 g/mol. Its IUPAC name is N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
PubChem CID98123917
Molecular FormulaC30H28N4O4S
Molecular Weight540.65 g/mol
Exact Mass540.18
IUPAC NameN-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C30H28N4O4S/c1-22(25-16-11-17-26(20-25)31-29(35)24-14-7-4-8-15-24)32-33-30(36)27-18-9-10-19-28(27)34(39(2,37)38)21-23-12-5-3-6-13-23/h3-20H,21H2,1-2H3,(H,31,35)(H,33,36)/b32-22-
InChIKeyYYGQCZQMIFIERT-JDCMOKTRSA-N
XLogP5.06
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.65
LogP ≤ 55.06
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

2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 6103783
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1278302
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide
CID 43878893
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
CID 1107749
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 1107755
N-[3-[N-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-chlorobenzamide
CID 2893050
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 99943824
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide (CID 98123917) is N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide is C/C(=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide?
The InChIKey is YYGQCZQMIFIERT-JDCMOKTRSA-N. The full InChI is InChI=1S/C30H28N4O4S/c1-22(25-16-11-17-26(20-25)31-29(35)24-14-7-4-8-15-24)32-33-30(36)27-18-9-10-19-28(27)34(39(2,37)38)21-23-12-5-3-6-13-23/h3-20H,21H2,1-2H3,(H,31,35)(H,33,36)/b32-22-.
What are the key properties of N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide?
N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide has a molecular weight of 540.65 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 98123917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).