N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide

C18H18N2O2S — CID 69041260

IUPACN-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide
SMILESC[C@]1(NS(C)(=O)=O)Cc2ccc(C#N)cc2[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-18(20-23(2,21)22)11-15-9-8-13(12-19)10-16(15)17(18)14-6-4-3-5-7-14/h3-10,17,20H,11H2,1-2H3/t17-,18+/m1/s1
InChIKeyVGDVYQWDVJTLNJ-MSOLQXFVSA-N
MW326.42 g/mol
LogP2.55
Rot. Bonds3

About N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide

N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide (PubChem CID 69041260) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide
PubChem CID69041260
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide
SMILESC[C@]1(NS(C)(=O)=O)Cc2ccc(C#N)cc2[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-18(20-23(2,21)22)11-15-9-8-13(12-19)10-16(15)17(18)14-6-4-3-5-7-14/h3-10,17,20H,11H2,1-2H3/t17-,18+/m1/s1
InChIKeyVGDVYQWDVJTLNJ-MSOLQXFVSA-N
XLogP2.55
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide?
The IUPAC name of N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide (CID 69041260) is N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide?
The canonical SMILES for N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide is C[C@]1(NS(C)(=O)=O)Cc2ccc(C#N)cc2[C@H]1c1ccccc1.
What is the InChIKey of N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide?
The InChIKey is VGDVYQWDVJTLNJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-18(20-23(2,21)22)11-15-9-8-13(12-19)10-16(15)17(18)14-6-4-3-5-7-14/h3-10,17,20H,11H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide?
N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide is sourced from PubChem (CID 69041260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).