4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide

C29H28N2O5S — CID 167853547

IUPAC4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide
SMILESCC(O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(CO)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C29H28N2O5S/c1-20(33)21-13-17-27(18-14-21)37(35,36)31-26-15-11-25(12-16-26)29(34)30-28(19-32)24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-18,20,28,31-33H,19H2,1H3,(H,30,34)
InChIKeyJPMPGCWEFBMSQK-UHFFFAOYSA-N
MW516.62 g/mol
LogP4.67
Rot. Bonds9

About 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide

4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide (PubChem CID 167853547) has the molecular formula C29H28N2O5S and a molecular weight of 516.62 g/mol. Its IUPAC name is 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide
PubChem CID167853547
Molecular FormulaC29H28N2O5S
Molecular Weight516.62 g/mol
Exact Mass516.17
IUPAC Name4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide
SMILESCC(O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(CO)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C29H28N2O5S/c1-20(33)21-13-17-27(18-14-21)37(35,36)31-26-15-11-25(12-16-26)29(34)30-28(19-32)24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-18,20,28,31-33H,19H2,1H3,(H,30,34)
InChIKeyJPMPGCWEFBMSQK-UHFFFAOYSA-N
XLogP4.67
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 54.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
N-cyclopentyl-4-[[4-[(1S)-1-hydroxyethyl]phenyl]sulfonylamino]benzamide
CID 41105553
4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446305
4-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2090399
4-(phenylsulfamoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446308
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]-3-phenylpropanoate
CID 24516849
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate
CID 71898733
4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 95282978

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide?
The IUPAC name of 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide (CID 167853547) is 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide is CC(O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(CO)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide?
The InChIKey is JPMPGCWEFBMSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5S/c1-20(33)21-13-17-27(18-14-21)37(35,36)31-26-15-11-25(12-16-26)29(34)30-28(19-32)24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-18,20,28,31-33H,19H2,1H3,(H,30,34).
What are the key properties of 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide?
4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide has a molecular weight of 516.62 g/mol, XLogP of 4.67, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide is sourced from PubChem (CID 167853547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).