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

C29H31N3O6S — CID 24988556

IUPAC4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(CCO)CC1)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C29H31N3O6S/c33-19-16-21-14-17-32(18-15-21)27(34)20-30-29(36)23-10-12-24(13-11-23)39(37,38)31-26-9-5-4-8-25(26)28(35)22-6-2-1-3-7-22/h1-13,21,31,33H,14-20H2,(H,30,36)
InChIKeyOGVLIWUTVQVBEN-UHFFFAOYSA-N
MW549.65 g/mol
LogP3.07
Rot. Bonds10

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

4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 24988556) has the molecular formula C29H31N3O6S and a molecular weight of 549.65 g/mol. Its IUPAC name is 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID24988556
Molecular FormulaC29H31N3O6S
Molecular Weight549.65 g/mol
Exact Mass549.19
IUPAC Name4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(CCO)CC1)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C29H31N3O6S/c33-19-16-21-14-17-32(18-15-21)27(34)20-30-29(36)23-10-12-24(13-11-23)39(37,38)31-26-9-5-4-8-25(26)28(35)22-6-2-1-3-7-22/h1-13,21,31,33H,14-20H2,(H,30,36)
InChIKeyOGVLIWUTVQVBEN-UHFFFAOYSA-N
XLogP3.07
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.65
LogP ≤ 53.07
H-Bond Donors ≤ 53
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-cyanopiperidin-1-yl)-2-oxoethyl]benzamide
CID 24988195
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
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
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24986738
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 58664932
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 24988556) is 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCC(CCO)CC1)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is OGVLIWUTVQVBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O6S/c33-19-16-21-14-17-32(18-15-21)27(34)20-30-29(36)23-10-12-24(13-11-23)39(37,38)31-26-9-5-4-8-25(26)28(35)22-6-2-1-3-7-22/h1-13,21,31,33H,14-20H2,(H,30,36).
What are the key properties of 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 549.65 g/mol, XLogP of 3.07, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 24988556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).