N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide

C19H25NO5S — CID 132548228

IUPACN-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide
SMILESCOC(OC)[C@](O)(CNS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C19H25NO5S/c1-15-9-11-17(12-10-15)26(22,23)20-14-19(21,18(24-2)25-3)13-16-7-5-4-6-8-16/h4-12,18,20-21H,13-14H2,1-3H3/t19-/m1/s1
InChIKeyKSWYBSIEOMCKFO-LJQANCHMSA-N
MW379.48 g/mol
LogP1.87
Rot. Bonds9

About N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide

N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide (PubChem CID 132548228) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide
PubChem CID132548228
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC NameN-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide
SMILESCOC(OC)[C@](O)(CNS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
InChIInChI=1S/C19H25NO5S/c1-15-9-11-17(12-10-15)26(22,23)20-14-19(21,18(24-2)25-3)13-16-7-5-4-6-8-16/h4-12,18,20-21H,13-14H2,1-3H3/t19-/m1/s1
InChIKeyKSWYBSIEOMCKFO-LJQANCHMSA-N
XLogP1.87
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-3-benzyl-3-hydroxy-1,4-diphenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24799695
N-[(2S)-3-ethyl-3-hydroxy-1-phenylpentan-2-yl]-4-methylbenzenesulfonamide
CID 11382871
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 10065175
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
N-(3-hydroxy-2,2-dimethylpropyl)-4-methylbenzenesulfonamide
CID 5174849
dimethyl 2-benzyl-2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]butanedioate
CID 138976216
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1006322
N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498566
N-(2-amino-2,2-difluoroethyl)-4-methylbenzenesulfonamide
CID 130184477
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide (CID 132548228) is N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide is COC(OC)[C@](O)(CNS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1.
What is the InChIKey of N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide?
The InChIKey is KSWYBSIEOMCKFO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-15-9-11-17(12-10-15)26(22,23)20-14-19(21,18(24-2)25-3)13-16-7-5-4-6-8-16/h4-12,18,20-21H,13-14H2,1-3H3/t19-/m1/s1.
What are the key properties of N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide?
N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-benzyl-2-hydroxy-3,3-dimethoxypropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 132548228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).