4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide

C34H42N4O5S — CID 91362372

IUPAC4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2O)cc1)C(=O)N1CCC(CCN2CCCC2)CC1
InChIInChI=1S/C34H42N4O5S/c1-34(2,33(41)37-24-19-26(20-25-37)18-23-36-21-8-9-22-36)35-32(40)27-14-16-29(17-15-27)44(42,43)38(28-10-4-3-5-11-28)30-12-6-7-13-31(30)39/h3-7,10-17,26,39H,8-9,18-25H2,1-2H3,(H,35,40)
InChIKeyITOXVSUILQTAFW-UHFFFAOYSA-N
MW618.80 g/mol
LogP5.15
Rot. Bonds10

About 4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide

4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide (PubChem CID 91362372) has the molecular formula C34H42N4O5S and a molecular weight of 618.80 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide
PubChem CID91362372
Molecular FormulaC34H42N4O5S
Molecular Weight618.80 g/mol
Exact Mass618.29
IUPAC Name4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2O)cc1)C(=O)N1CCC(CCN2CCCC2)CC1
InChIInChI=1S/C34H42N4O5S/c1-34(2,33(41)37-24-19-26(20-25-37)18-23-36-21-8-9-22-36)35-32(40)27-14-16-29(17-15-27)44(42,43)38(28-10-4-3-5-11-28)30-12-6-7-13-31(30)39/h3-7,10-17,26,39H,8-9,18-25H2,1-2H3,(H,35,40)
InChIKeyITOXVSUILQTAFW-UHFFFAOYSA-N
XLogP5.15
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.80
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 90688649
N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide
CID 91402886
4-[[3-(diethylamino)phenoxy]-phenylsulfamoyl]-N-[4-(2-pyrrolidin-1-ylethyl)cyclohexyl]benzamide
CID 87486436
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46476979
2-[4-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828107
4-[methyl(phenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849780
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 136579803
tert-butyl 4-[2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15949295
N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 92901350
N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9479606
1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide
CID 91207184

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide?
The IUPAC name of 4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide (CID 91362372) is 4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide.
What is the SMILES notation for 4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide?
The canonical SMILES for 4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide is CC(C)(NC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2O)cc1)C(=O)N1CCC(CCN2CCCC2)CC1.
What is the InChIKey of 4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide?
The InChIKey is ITOXVSUILQTAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O5S/c1-34(2,33(41)37-24-19-26(20-25-37)18-23-36-21-8-9-22-36)35-32(40)27-14-16-29(17-15-27)44(42,43)38(28-10-4-3-5-11-28)30-12-6-7-13-31(30)39/h3-7,10-17,26,39H,8-9,18-25H2,1-2H3,(H,35,40).
What are the key properties of 4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide?
4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide has a molecular weight of 618.80 g/mol, XLogP of 5.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 91362372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).