(2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide

C14H23NO3S — CID 99843042

IUPAC(2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide
SMILESCC[C@H](NS(=O)(=O)C[C@@H](C)OC)c1ccc(C)cc1
InChIInChI=1S/C14H23NO3S/c1-5-14(13-8-6-11(2)7-9-13)15-19(16,17)10-12(3)18-4/h6-9,12,14-15H,5,10H2,1-4H3/t12-,14+/m1/s1
InChIKeyYLFCASFNRGGBMV-OCCSQVGLSA-N
MW285.41 g/mol
LogP2.40
Rot. Bonds7

About (2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide

(2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide (PubChem CID 99843042) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide
PubChem CID99843042
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name(2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide
SMILESCC[C@H](NS(=O)(=O)C[C@@H](C)OC)c1ccc(C)cc1
InChIInChI=1S/C14H23NO3S/c1-5-14(13-8-6-11(2)7-9-13)15-19(16,17)10-12(3)18-4/h6-9,12,14-15H,5,10H2,1-4H3/t12-,14+/m1/s1
InChIKeyYLFCASFNRGGBMV-OCCSQVGLSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[1-(4-methylphenyl)propylsulfamoylmethyl]benzoate
CID 46771538
4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 133184980
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
CID 107651341
3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
CID 93486219
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide
CID 46778569
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61247679
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
ethyl 2-[1-(4-methylphenyl)propylamino]propanoate
CID 54960073

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide?
The IUPAC name of (2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide (CID 99843042) is (2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide.
What is the SMILES notation for (2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide?
The canonical SMILES for (2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide is CC[C@H](NS(=O)(=O)C[C@@H](C)OC)c1ccc(C)cc1.
What is the InChIKey of (2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide?
The InChIKey is YLFCASFNRGGBMV-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-14(13-8-6-11(2)7-9-13)15-19(16,17)10-12(3)18-4/h6-9,12,14-15H,5,10H2,1-4H3/t12-,14+/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide?
(2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 99843042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).