N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide

C26H32N2O2S — CID 71623287

IUPACN-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H32N2O2S/c1-4-27(5-2)25-15-13-24(14-16-25)21-28(20-19-23-9-7-6-8-10-23)31(29,30)26-17-11-22(3)12-18-26/h6-18H,4-5,19-21H2,1-3H3
InChIKeyNWZMVWNSQIBDMT-UHFFFAOYSA-N
MW436.62 g/mol
LogP5.27
Rot. Bonds10

About N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide

N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 71623287) has the molecular formula C26H32N2O2S and a molecular weight of 436.62 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID71623287
Molecular FormulaC26H32N2O2S
Molecular Weight436.62 g/mol
Exact Mass436.22
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H32N2O2S/c1-4-27(5-2)25-15-13-24(14-16-25)21-28(20-19-23-9-7-6-8-10-23)31(29,30)26-17-11-22(3)12-18-26/h6-18H,4-5,19-21H2,1-3H3
InChIKeyNWZMVWNSQIBDMT-UHFFFAOYSA-N
XLogP5.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 71623287) is N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide is CCN(CC)c1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is NWZMVWNSQIBDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2S/c1-4-27(5-2)25-15-13-24(14-16-25)21-28(20-19-23-9-7-6-8-10-23)31(29,30)26-17-11-22(3)12-18-26/h6-18H,4-5,19-21H2,1-3H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 436.62 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 71623287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).