N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide

C25H27N3O4S — CID 90595351

IUPACN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccc(C)c4)cc3)cc2)C1
InChIInChI=1S/C25H27N3O4S/c1-18-4-3-5-24(16-18)33(30,31)27-21-8-6-19(7-9-21)25(29)26-20-10-12-22(13-11-20)28-15-14-23(17-28)32-2/h3-13,16,23,27H,14-15,17H2,1-2H3,(H,26,29)
InChIKeyDJHRPSBILJIQIJ-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.27
Rot. Bonds7

About N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide (PubChem CID 90595351) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide
PubChem CID90595351
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccc(C)c4)cc3)cc2)C1
InChIInChI=1S/C25H27N3O4S/c1-18-4-3-5-24(16-18)33(30,31)27-21-8-6-19(7-9-21)25(29)26-20-10-12-22(13-11-20)28-15-14-23(17-28)32-2/h3-13,16,23,27H,14-15,17H2,1-2H3,(H,26,29)
InChIKeyDJHRPSBILJIQIJ-UHFFFAOYSA-N
XLogP4.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141504
3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595569
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 90595353
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56557769
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide
CID 97427664
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 121141754

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide (CID 90595351) is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide is COC1CCN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccc(C)c4)cc3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide?
The InChIKey is DJHRPSBILJIQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-18-4-3-5-24(16-18)33(30,31)27-21-8-6-19(7-9-21)25(29)26-20-10-12-22(13-11-20)28-15-14-23(17-28)32-2/h3-13,16,23,27H,14-15,17H2,1-2H3,(H,26,29).
What are the key properties of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide?
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 90595351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).