N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C20H22N2O4S — CID 55843820

IUPACN-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4S/c1-16(22-19(23)13-12-17-8-4-2-5-9-17)20(24)21-14-15-27(25,26)18-10-6-3-7-11-18/h2-13,16H,14-15H2,1H3,(H,21,24)(H,22,23)/b13-12+
InChIKeySKYKYADCDWINFI-OUKQBFOZSA-N
MW386.47 g/mol
LogP1.79
Rot. Bonds8

About N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 55843820) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID55843820
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4S/c1-16(22-19(23)13-12-17-8-4-2-5-9-17)20(24)21-14-15-27(25,26)18-10-6-3-7-11-18/h2-13,16H,14-15H2,1H3,(H,21,24)(H,22,23)/b13-12+
InChIKeySKYKYADCDWINFI-OUKQBFOZSA-N
XLogP1.79
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
CID 21034169
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-phenylprop-2-enoylamino)propanamide
CID 110908948
N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51165809
N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110887309
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161276
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
N-(3-morpholin-4-ylpropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51162206
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9270227
(2R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 37496509
N-[[4-(dimethylamino)phenyl]methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51221756

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 55843820) is N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is CC(NC(=O)/C=C/c1ccccc1)C(=O)NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is SKYKYADCDWINFI-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-16(22-19(23)13-12-17-8-4-2-5-9-17)20(24)21-14-15-27(25,26)18-10-6-3-7-11-18/h2-13,16H,14-15H2,1H3,(H,21,24)(H,22,23)/b13-12+.
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 386.47 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 55843820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).