N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide

C26H26N2O2S — CID 59537297

IUPACN-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide
SMILESCc1ccc2ccccc2c1CS(=O)(=O)NC(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C26H26N2O2S/c1-19-16-17-20-10-8-9-15-23(20)24(19)18-31(29,30)28-26(22-13-6-3-7-14-22)25(27)21-11-4-2-5-12-21/h2-17,25-26,28H,18,27H2,1H3
InChIKeyKNVCVHPXCFNXNE-UHFFFAOYSA-N
MW430.57 g/mol
LogP5.01
Rot. Bonds7

About N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide

N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide (PubChem CID 59537297) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide
PubChem CID59537297
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC NameN-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide
SMILESCc1ccc2ccccc2c1CS(=O)(=O)NC(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C26H26N2O2S/c1-19-16-17-20-10-8-9-15-23(20)24(19)18-31(29,30)28-26(22-13-6-3-7-14-22)25(27)21-11-4-2-5-12-21/h2-17,25-26,28H,18,27H2,1H3
InChIKeyKNVCVHPXCFNXNE-UHFFFAOYSA-N
XLogP5.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide
CID 59537628
N-(2-amino-1,2-diphenylethyl)-1-naphthalen-2-ylmethanesulfonamide
CID 59537514
N-(2-amino-1,2-diphenylethyl)-1-(2,6-diphenylphenyl)methanesulfonamide
CID 59537660
N-(2-amino-1,2-diphenylethyl)-1-(4-phenylphenyl)methanesulfonamide
CID 59537666
N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide
CID 59537367
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide
CID 59537696
N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide
CID 59537380
2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide
CID 59537578
N-(2-amino-1,2-diphenylethyl)-1-(3-chlorophenyl)methanesulfonamide
CID 59537632
N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide
CID 59537325
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
CID 59537598

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide (CID 59537297) is N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide is Cc1ccc2ccccc2c1CS(=O)(=O)NC(c1ccccc1)C(N)c1ccccc1.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide?
The InChIKey is KNVCVHPXCFNXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-19-16-17-20-10-8-9-15-23(20)24(19)18-31(29,30)28-26(22-13-6-3-7-14-22)25(27)21-11-4-2-5-12-21/h2-17,25-26,28H,18,27H2,1H3.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide?
N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 59537297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).