4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide

C28H26N4O5S — CID 24988195

IUPAC4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide
SMILESN#CC1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C28H26N4O5S/c29-18-20-14-16-32(17-15-20)26(33)19-30-28(35)22-10-12-23(13-11-22)38(36,37)31-25-9-5-4-8-24(25)27(34)21-6-2-1-3-7-21/h1-13,20,31H,14-17,19H2,(H,30,35)
InChIKeyXFANWVDGBSDVIG-UHFFFAOYSA-N
MW530.61 g/mol
LogP3.21
Rot. Bonds8

About 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide

4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 24988195) has the molecular formula C28H26N4O5S and a molecular weight of 530.61 g/mol. Its IUPAC name is 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide
PubChem CID24988195
Molecular FormulaC28H26N4O5S
Molecular Weight530.61 g/mol
Exact Mass530.16
IUPAC Name4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide
SMILESN#CC1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C28H26N4O5S/c29-18-20-14-16-32(17-15-20)26(33)19-30-28(35)22-10-12-23(13-11-22)38(36,37)31-25-9-5-4-8-24(25)27(34)21-6-2-1-3-7-21/h1-13,20,31H,14-17,19H2,(H,30,35)
InChIKeyXFANWVDGBSDVIG-UHFFFAOYSA-N
XLogP3.21
TPSA136.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.61
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 24988556
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 24986737
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
4-(4-cyanopiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 49064443
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24986738
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide (CID 24988195) is 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide is N#CC1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is XFANWVDGBSDVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5S/c29-18-20-14-16-32(17-15-20)26(33)19-30-28(35)22-10-12-23(13-11-22)38(36,37)31-25-9-5-4-8-24(25)27(34)21-6-2-1-3-7-21/h1-13,20,31H,14-17,19H2,(H,30,35).
What are the key properties of 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide?
4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 530.61 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 24988195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).