N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide

C23H25NO4S — CID 173182413

IUPACN-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc([C@H](O)CCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H25NO4S/c1-29(26,27)24-21-16-20(22(25)14-12-18-8-4-2-5-9-18)13-15-23(21)28-17-19-10-6-3-7-11-19/h2-11,13,15-16,22,24-25H,12,14,17H2,1H3/t22-/m1/s1
InChIKeyJFDOPVMLHHZLAE-JOCHJYFZSA-N
MW411.52 g/mol
LogP4.30
Rot. Bonds9

About N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide

N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide (PubChem CID 173182413) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide
PubChem CID173182413
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC NameN-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc([C@H](O)CCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H25NO4S/c1-29(26,27)24-21-16-20(22(25)14-12-18-8-4-2-5-9-18)13-15-23(21)28-17-19-10-6-3-7-11-19/h2-11,13,15-16,22,24-25H,12,14,17H2,1H3/t22-/m1/s1
InChIKeyJFDOPVMLHHZLAE-JOCHJYFZSA-N
XLogP4.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 70516197
N-[4-[2-[benzyl-[2-hydroxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide
CID 46193479
N-[5-[(1R)-2-[[1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-yl]amino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 90718334
N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 82096959
4-[4-[2-[[2-hydroxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]propoxy]phenyl]benzoic acid
CID 23134144
2-ethoxy-4-[4-[2-[[(2R)-2-hydroxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]ethoxy]phenyl]benzoic acid
CID 69202846
N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide
CID 126500170
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
benzyl 4-[4-[2-[[(2R)-2-hydroxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]ethoxy]-2,3-dimethylphenyl]benzoate
CID 69202804
2-[[(2R)-2-hydroxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]ethyl 3-methyl-4-phenylbenzenecarboperoxoate
CID 91102840
benzyl 4-[4-[2-[[(2S)-2-hydroxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]ethoxy]phenyl]-3-methylbenzoate
CID 69202921
N-[2-hydroxy-5-[1-hydroxy-2-[2-[4-(2-phenylmethoxyethoxy)phenyl]ethylamino]ethyl]phenyl]methanesulfonamide
CID 72981161

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide (CID 173182413) is N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide is CS(=O)(=O)Nc1cc([C@H](O)CCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide?
The InChIKey is JFDOPVMLHHZLAE-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-29(26,27)24-21-16-20(22(25)14-12-18-8-4-2-5-9-18)13-15-23(21)28-17-19-10-6-3-7-11-19/h2-11,13,15-16,22,24-25H,12,14,17H2,1H3/t22-/m1/s1.
What are the key properties of N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide?
N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide has a molecular weight of 411.52 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide is sourced from PubChem (CID 173182413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).