N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide

C23H24N2O5S — CID 51808937

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-30-20-11-13-21(14-12-20)31(28,29)24-15-17-7-9-19(10-8-17)23(27)25-22(16-26)18-5-3-2-4-6-18/h2-14,22,24,26H,15-16H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyHIABLRDSDJBSOA-QFIPXVFZSA-N
MW440.52 g/mol
LogP2.64
Rot. Bonds9

About N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide

N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide (PubChem CID 51808937) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
PubChem CID51808937
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-30-20-11-13-21(14-12-20)31(28,29)24-15-17-7-9-19(10-8-17)23(27)25-22(16-26)18-5-3-2-4-6-18/h2-14,22,24,26H,15-16H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyHIABLRDSDJBSOA-QFIPXVFZSA-N
XLogP2.64
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide
CID 24547843
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 20854193
4-ethyl-N-[(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylethyl]benzamide
CID 54166199

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide (CID 51808937) is N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide is COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is HIABLRDSDJBSOA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-30-20-11-13-21(14-12-20)31(28,29)24-15-17-7-9-19(10-8-17)23(27)25-22(16-26)18-5-3-2-4-6-18/h2-14,22,24,26H,15-16H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide has a molecular weight of 440.52 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 51808937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).