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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]thiophene-2-carboxamide
CID 69088896
2-[(1S,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]-N-(methylcarbamoyl)acetamide
CID 71187598
(2R,3S)-2-methyl-3-phenyl-2-[(1,3-thiazol-2-ylamino)methyl]-1,3-dihydroindene-5-carbonitrile
CID 143493993
N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide
CID 54111455
3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carbonitrile
CID 67081826
(2S,3S)-3'-oxo-3-(4-phenylphenyl)-1'-(1,3,4-thiadiazol-2-yl)spiro[1,3-dihydroindene-2,2'-aziridine]-5-carbonitrile
CID 89152504
(2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 71187619
(2S,3S)-2-formyl-2,3-dimethyl-1,3-dihydroindene-5-carbonitrile
CID 143493984
6-cyano-4-(phenylcarbamoyl)-3,4-dihydro-1H-naphthalene-2,2-dicarboxylic acid
CID 175600056
6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide
CID 69041615
1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea
CID 10063698
1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile
CID 71342098

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).