N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide

C26H26N4O4S — CID 55768322

IUPACN-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide
SMILESCN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C(NC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H26N4O4S/c1-30-17-9-16-23(30)29-35(33,34)22-15-8-14-21(18-22)27-26(32)24(19-10-4-2-5-11-19)28-25(31)20-12-6-3-7-13-20/h2-8,10-15,18,24H,9,16-17H2,1H3,(H,27,32)(H,28,31)
InChIKeyMITSSPABNBWBNP-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.61
Rot. Bonds7

About N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide

N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide (PubChem CID 55768322) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide
PubChem CID55768322
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide
SMILESCN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C(NC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H26N4O4S/c1-30-17-9-16-23(30)29-35(33,34)22-15-8-14-21(18-22)27-26(32)24(19-10-4-2-5-11-19)28-25(31)20-12-6-3-7-13-20/h2-8,10-15,18,24H,9,16-17H2,1H3,(H,27,32)(H,28,31)
InChIKeyMITSSPABNBWBNP-UHFFFAOYSA-N
XLogP3.61
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-propan-2-ylbenzamide
CID 55881637
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-methylsulfonylbenzamide
CID 51957722
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
CID 166180766
2-methoxy-N-[3-methyl-1-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxobutan-2-yl]benzamide
CID 55969865
2-(N-methylanilino)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 60530575
N-methyl-4-[3-[3-[(1-methylazepan-2-ylidene)amino]sulfonylanilino]-3-oxoprop-1-enyl]benzamide
CID 55813443
4-(cyclopropylcarbamoylamino)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 55880367
3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide
CID 60549464
2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide
CID 55882150
N-[2-oxo-1-phenyl-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]benzamide
CID 55599784
2-fluoro-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55880493
2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide
CID 60557496

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide (CID 55768322) is N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide is CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C(NC(=O)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide?
The InChIKey is MITSSPABNBWBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-30-17-9-16-23(30)29-35(33,34)22-15-8-14-21(18-22)27-26(32)24(19-10-4-2-5-11-19)28-25(31)20-12-6-3-7-13-20/h2-8,10-15,18,24H,9,16-17H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide?
N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide has a molecular weight of 490.59 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 55768322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).