N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide

C20H26N2O4S — CID 75536707

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccc(C)cc3)[C@H]2O)cc1
InChIInChI=1S/C20H26N2O4S/c1-14-3-7-16(8-4-14)11-21-18-13-26-19(20(18)23)12-22-27(24,25)17-9-5-15(2)6-10-17/h3-10,18-23H,11-13H2,1-2H3/t18-,19-,20+/m1/s1
InChIKeyHYZZUCINXUTDAH-AQNXPRMDSA-N
MW390.51 g/mol
LogP1.50
Rot. Bonds7

About N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 75536707) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID75536707
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccc(C)cc3)[C@H]2O)cc1
InChIInChI=1S/C20H26N2O4S/c1-14-3-7-16(8-4-14)11-21-18-13-26-19(20(18)23)12-22-27(24,25)17-9-5-15(2)6-10-17/h3-10,18-23H,11-13H2,1-2H3/t18-,19-,20+/m1/s1
InChIKeyHYZZUCINXUTDAH-AQNXPRMDSA-N
XLogP1.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide
CID 75410013
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
CID 75536683
N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
CID 75536693
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536706
1-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536734
N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 86769006
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 28961551
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzenesulfonamide
CID 28962177
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
CID 75367097
N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75367099
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75367115
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
CID 75536660

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide (CID 75536707) is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccc(C)cc3)[C@H]2O)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is HYZZUCINXUTDAH-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14-3-7-16(8-4-14)11-21-18-13-26-19(20(18)23)12-22-27(24,25)17-9-5-15(2)6-10-17/h3-10,18-23H,11-13H2,1-2H3/t18-,19-,20+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 75536707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).