4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide

C25H27NO3S — CID 11223942

IUPAC4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide
SMILESC=CC(OCc1ccccc1)N(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27NO3S/c1-3-25(29-20-23-12-8-5-9-13-23)26(19-18-22-10-6-4-7-11-22)30(27,28)24-16-14-21(2)15-17-24/h3-17,25H,1,18-20H2,2H3
InChIKeyYPUOMVJCABLAMV-UHFFFAOYSA-N
MW421.56 g/mol
LogP4.96
Rot. Bonds10

About 4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide

4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide (PubChem CID 11223942) has the molecular formula C25H27NO3S and a molecular weight of 421.56 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide
PubChem CID11223942
Molecular FormulaC25H27NO3S
Molecular Weight421.56 g/mol
Exact Mass421.17
IUPAC Name4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide
SMILESC=CC(OCc1ccccc1)N(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27NO3S/c1-3-25(29-20-23-12-8-5-9-13-23)26(19-18-22-10-6-4-7-11-22)30(27,28)24-16-14-21(2)15-17-24/h3-17,25H,1,18-20H2,2H3
InChIKeyYPUOMVJCABLAMV-UHFFFAOYSA-N
XLogP4.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide
CID 72966793
N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide
CID 23726775
4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide
CID 101156823
4-methyl-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-N-[(1S)-1-phenylprop-2-enyl]benzenesulfonamide
CID 101056784
N-(3-hydroxyprop-1-ynyl)-4-methyl-N-[2-(phenylmethoxymethyl)but-3-enyl]benzenesulfonamide
CID 101416823
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 102151911
(2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
CID 70830666
(2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 11825728
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
(2S)-2-[chloromethyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 67737076
N-benzyl-4-methyl-N-(3-methyl-1-phenylbut-3-en-2-yl)benzenesulfonamide
CID 14811520
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide (CID 11223942) is 4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide is C=CC(OCc1ccccc1)N(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide?
The InChIKey is YPUOMVJCABLAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3S/c1-3-25(29-20-23-12-8-5-9-13-23)26(19-18-22-10-6-4-7-11-22)30(27,28)24-16-14-21(2)15-17-24/h3-17,25H,1,18-20H2,2H3.
What are the key properties of 4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide?
4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide has a molecular weight of 421.56 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 11223942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).