N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide

C25H29NO3S — CID 11154460

IUPACN-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCOC(C=C)(C=C)[C@H](c1ccccc1)N(CC=C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H29NO3S/c1-6-19-26(30(27,28)23-17-15-21(5)16-18-23)24(22-13-11-10-12-14-22)25(8-3,9-4)29-20-7-2/h6-18,24H,1-4,19-20H2,5H3/t24-/m0/s1
InChIKeyJZSIZEUQRHOTQU-DEOSSOPVSA-N
MW423.58 g/mol
LogP5.23
Rot. Bonds12

About N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide

N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 11154460) has the molecular formula C25H29NO3S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID11154460
Molecular FormulaC25H29NO3S
Molecular Weight423.58 g/mol
Exact Mass423.19
IUPAC NameN-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCOC(C=C)(C=C)[C@H](c1ccccc1)N(CC=C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H29NO3S/c1-6-19-26(30(27,28)23-17-15-21(5)16-18-23)24(22-13-11-10-12-14-22)25(8-3,9-4)29-20-7-2/h6-18,24H,1-4,19-20H2,5H3/t24-/m0/s1
InChIKeyJZSIZEUQRHOTQU-DEOSSOPVSA-N
XLogP5.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide 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

2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]propanoate
CID 4740986
4-[(2,2-dimethyl-1-phenylbut-3-enyl)-(4-methylphenyl)sulfonylamino]but-2-ynyl 2,2-dimethylpropanoate
CID 56934934
N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide
CID 72966793
methyl (2S)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]pent-4-enoate
CID 10496158
N-[(2R,3S)-2-hydroxy-3-phenylpent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 25016895
N-[(1R,2R)-2-chloro-1-ethoxy-3-hydroxypropyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 135064477
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2482590
N-[(E)-4-hydroxybut-2-enyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 102266545
methyl 2-[[(4-methylphenyl)sulfonyl-prop-2-enylamino]-naphthalen-2-ylmethyl]prop-2-enoate
CID 101345783
N-(2,2-dimethyl-3-oxopropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 10494105
N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide
CID 23726775
methyl 2-[(R)-(4-chlorophenyl)-[(4-methylphenyl)sulfonyl-prop-2-enylamino]methyl]prop-2-enoate
CID 54752221

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 11154460) is N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCOC(C=C)(C=C)[C@H](c1ccccc1)N(CC=C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is JZSIZEUQRHOTQU-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H29NO3S/c1-6-19-26(30(27,28)23-17-15-21(5)16-18-23)24(22-13-11-10-12-14-22)25(8-3,9-4)29-20-7-2/h6-18,24H,1-4,19-20H2,5H3/t24-/m0/s1.
What are the key properties of N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 423.58 g/mol, XLogP of 5.23, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-ethenyl-1-phenyl-2-prop-2-enoxybut-3-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 11154460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).