1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide

C21H25NO3S — CID 99826036

IUPAC1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESO=S(=O)(CC1CCOCC1)N[C@H]1CCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C21H25NO3S/c23-26(24,15-16-10-12-25-13-11-16)22-21-9-8-18-6-7-19(14-20(18)21)17-4-2-1-3-5-17/h1-7,14,16,21-22H,8-13,15H2/t21-/m0/s1
InChIKeyBMMAENHPSZEIAI-NRFANRHFSA-N
MW371.50 g/mol
LogP3.69
Rot. Bonds5

About 1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide

1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (PubChem CID 99826036) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
PubChem CID99826036
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC Name1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESO=S(=O)(CC1CCOCC1)N[C@H]1CCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C21H25NO3S/c23-26(24,15-16-10-12-25-13-11-16)22-21-9-8-18-6-7-19(14-20(18)21)17-4-2-1-3-5-17/h1-7,14,16,21-22H,8-13,15H2/t21-/m0/s1
InChIKeyBMMAENHPSZEIAI-NRFANRHFSA-N
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The IUPAC name of 1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (CID 99826036) is 1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The canonical SMILES for 1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is O=S(=O)(CC1CCOCC1)N[C@H]1CCc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The InChIKey is BMMAENHPSZEIAI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25NO3S/c23-26(24,15-16-10-12-25-13-11-16)22-21-9-8-18-6-7-19(14-20(18)21)17-4-2-1-3-5-17/h1-7,14,16,21-22H,8-13,15H2/t21-/m0/s1.
What are the key properties of 1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide has a molecular weight of 371.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[(1S)-6-phenyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is sourced from PubChem (CID 99826036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).