N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide

C18H23NO3S — CID 90322547

IUPACN-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide
SMILESCOC[C@](C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-18(15-22-3,16-10-6-4-7-11-16)14-19(2)23(20,21)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3/t18-/m0/s1
InChIKeyHRZWWYHDWLCUNO-SFHVURJKSA-N
MW333.45 g/mol
LogP2.91
Rot. Bonds7

About N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide

N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide (PubChem CID 90322547) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide
PubChem CID90322547
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide
SMILESCOC[C@](C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-18(15-22-3,16-10-6-4-7-11-16)14-19(2)23(20,21)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3/t18-/m0/s1
InChIKeyHRZWWYHDWLCUNO-SFHVURJKSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide (CID 90322547) is N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide is COC[C@](C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide?
The InChIKey is HRZWWYHDWLCUNO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-18(15-22-3,16-10-6-4-7-11-16)14-19(2)23(20,21)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide?
N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 90322547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).