N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide

C18H22N2O2S — CID 56823426

IUPACN-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCC(NC/C=C/c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O2S/c1-15(19-14-6-9-16-7-4-3-5-8-16)17-10-12-18(13-11-17)20-23(2,21)22/h3-13,15,19-20H,14H2,1-2H3/b9-6+
InChIKeyIJSOYBZTAHVRSL-RMKNXTFCSA-N
MW330.45 g/mol
LogP3.42
Rot. Bonds7

About N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide

N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide (PubChem CID 56823426) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide
PubChem CID56823426
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCC(NC/C=C/c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O2S/c1-15(19-14-6-9-16-7-4-3-5-8-16)17-10-12-18(13-11-17)20-23(2,21)22/h3-13,15,19-20H,14H2,1-2H3/b9-6+
InChIKeyIJSOYBZTAHVRSL-RMKNXTFCSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide 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

(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
(E)-N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 73336131
N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 123802706
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
CID 81408581
N-methyl-2-(3-phenylprop-2-enylamino)propanamide
CID 76940370
N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide
CID 62341302
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
(Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine
CID 102078322
N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide
CID 162345129

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide (CID 56823426) is N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide is CC(NC/C=C/c1ccccc1)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is IJSOYBZTAHVRSL-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15(19-14-6-9-16-7-4-3-5-8-16)17-10-12-18(13-11-17)20-23(2,21)22/h3-13,15,19-20H,14H2,1-2H3/b9-6+.
What are the key properties of N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide?
N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 56823426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).