N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide

C20H26N2O2S — CID 70510007

IUPACN-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide
SMILESC/C=C(\c1ccccc1)c1ccc(N)c(NS(=O)(=O)CC(C)(C)C)c1
InChIInChI=1S/C20H26N2O2S/c1-5-17(15-9-7-6-8-10-15)16-11-12-18(21)19(13-16)22-25(23,24)14-20(2,3)4/h5-13,22H,14,21H2,1-4H3/b17-5+
InChIKeyMFNUYXAZPVMKKQ-YAXRCOADSA-N
MW358.51 g/mol
LogP4.51
Rot. Bonds5

About N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide

N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide (PubChem CID 70510007) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide
PubChem CID70510007
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide
SMILESC/C=C(\c1ccccc1)c1ccc(N)c(NS(=O)(=O)CC(C)(C)C)c1
InChIInChI=1S/C20H26N2O2S/c1-5-17(15-9-7-6-8-10-15)16-11-12-18(21)19(13-16)22-25(23,24)14-20(2,3)4/h5-13,22H,14,21H2,1-4H3/b17-5+
InChIKeyMFNUYXAZPVMKKQ-YAXRCOADSA-N
XLogP4.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide (CID 70510007) is N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide is C/C=C(\c1ccccc1)c1ccc(N)c(NS(=O)(=O)CC(C)(C)C)c1.
What is the InChIKey of N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is MFNUYXAZPVMKKQ-YAXRCOADSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-5-17(15-9-7-6-8-10-15)16-11-12-18(21)19(13-16)22-25(23,24)14-20(2,3)4/h5-13,22H,14,21H2,1-4H3/b17-5+.
What are the key properties of N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide?
N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 358.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[(E)-1-phenylprop-1-enyl]phenyl]-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 70510007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).