N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide

C21H26N2O2S — CID 134370030

IUPACN-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide
SMILESCC(C)c1cc(C#N)cc(CC(C)c2cccc(CNS(C)(=O)=O)c2)c1
InChIInChI=1S/C21H26N2O2S/c1-15(2)21-11-18(9-19(12-21)13-22)8-16(3)20-7-5-6-17(10-20)14-23-26(4,24)25/h5-7,9-12,15-16,23H,8,14H2,1-4H3
InChIKeyDGFFYFYJYAXDLK-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.08
Rot. Bonds7

About N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide

N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide (PubChem CID 134370030) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide
PubChem CID134370030
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide
SMILESCC(C)c1cc(C#N)cc(CC(C)c2cccc(CNS(C)(=O)=O)c2)c1
InChIInChI=1S/C21H26N2O2S/c1-15(2)21-11-18(9-19(12-21)13-22)8-16(3)20-7-5-6-17(10-20)14-23-26(4,24)25/h5-7,9-12,15-16,23H,8,14H2,1-4H3
InChIKeyDGFFYFYJYAXDLK-UHFFFAOYSA-N
XLogP4.08
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide
CID 142425737
2-[(3-cyanophenyl)methylsulfamoyl]propanoic acid
CID 54947596
3-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile
CID 60756462
N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide
CID 55062177
N-[(3-nitrosophenyl)methyl]methanesulfonamide
CID 123247228
methyl N-[(3-cyanophenyl)methylsulfamoyl]carbamate
CID 113344019
(2S)-3-(3-cyanophenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoic acid
CID 11510839
1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide
CID 49245759
N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide
CID 56794323
N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide
CID 55062176
1-methylsulfonyl-3-propan-2-yl-5-[2-[3-(trifluoromethylsulfonyl)phenyl]propyl]benzene
CID 126710675
N-[3-[[3-(difluoromethyl)phenyl]methylamino]propyl]methanesulfonamide
CID 106333003

Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide (CID 134370030) is N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide is CC(C)c1cc(C#N)cc(CC(C)c2cccc(CNS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is DGFFYFYJYAXDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15(2)21-11-18(9-19(12-21)13-22)8-16(3)20-7-5-6-17(10-20)14-23-26(4,24)25/h5-7,9-12,15-16,23H,8,14H2,1-4H3.
What are the key properties of N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide?
N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 134370030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).