N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide

C29H26N2O2S — CID 71311046

IUPACN-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2cccc3ccccc23)[C@@H](N)c2cccc3ccccc23)cc1
InChIInChI=1S/C29H26N2O2S/c1-20-16-18-23(19-17-20)34(32,33)31-29(27-15-7-11-22-9-3-5-13-25(22)27)28(30)26-14-6-10-21-8-2-4-12-24(21)26/h2-19,28-29,31H,30H2,1H3/t28-,29-/m0/s1
InChIKeyGYVYYRQMNGSCRR-VMPREFPWSA-N
MW466.61 g/mol
LogP6.02
Rot. Bonds6

About N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide

N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide (PubChem CID 71311046) has the molecular formula C29H26N2O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide
PubChem CID71311046
Molecular FormulaC29H26N2O2S
Molecular Weight466.61 g/mol
Exact Mass466.17
IUPAC NameN-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2cccc3ccccc23)[C@@H](N)c2cccc3ccccc23)cc1
InChIInChI=1S/C29H26N2O2S/c1-20-16-18-23(19-17-20)34(32,33)31-29(27-15-7-11-22-9-3-5-13-25(22)27)28(30)26-14-6-10-21-8-2-4-12-24(21)26/h2-19,28-29,31H,30H2,1H3/t28-,29-/m0/s1
InChIKeyGYVYYRQMNGSCRR-VMPREFPWSA-N
XLogP6.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide (CID 71311046) is N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2cccc3ccccc23)[C@@H](N)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide?
The InChIKey is GYVYYRQMNGSCRR-VMPREFPWSA-N. The full InChI is InChI=1S/C29H26N2O2S/c1-20-16-18-23(19-17-20)34(32,33)31-29(27-15-7-11-22-9-3-5-13-25(22)27)28(30)26-14-6-10-21-8-2-4-12-24(21)26/h2-19,28-29,31H,30H2,1H3/t28-,29-/m0/s1.
What are the key properties of N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide?
N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide has a molecular weight of 466.61 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71311046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).