(E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide

C20H24N2O3S — CID 32996503

IUPAC(E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C20H24N2O3S/c1-15-5-4-6-18(13-15)9-10-20(23)21-11-12-22-26(24,25)19-14-16(2)7-8-17(19)3/h4-10,13-14,22H,11-12H2,1-3H3,(H,21,23)/b10-9+
InChIKeyZUAHABHJRQBHMY-MDZDMXLPSA-N
MW372.49 g/mol
LogP2.72
Rot. Bonds7

About (E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide

(E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide (PubChem CID 32996503) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide
PubChem CID32996503
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C20H24N2O3S/c1-15-5-4-6-18(13-15)9-10-20(23)21-11-12-22-26(24,25)19-14-16(2)7-8-17(19)3/h4-10,13-14,22H,11-12H2,1-3H3,(H,21,23)/b10-9+
InChIKeyZUAHABHJRQBHMY-MDZDMXLPSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 32995754
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
(Z)-3-(3-methylphenyl)-N-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]prop-2-enamide
CID 97378357
methyl 3-[[(Z)-3-(3-methylphenyl)prop-2-enoyl]amino]propanoate
CID 96561918
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide
CID 32998084
6-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]hexanoic acid
CID 43238449
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-3-(3-methylphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
CID 108934921
N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide
CID 102603478
(E)-3-(3-methylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]prop-2-enamide
CID 115699968
(E)-N-(2-hydroxy-2-methylpentyl)-3-(3-methylphenyl)prop-2-enamide
CID 103713336

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide (CID 32996503) is (E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide is Cc1cccc(/C=C/C(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of (E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is ZUAHABHJRQBHMY-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-5-4-6-18(13-15)9-10-20(23)21-11-12-22-26(24,25)19-14-16(2)7-8-17(19)3/h4-10,13-14,22H,11-12H2,1-3H3,(H,21,23)/b10-9+.
What are the key properties of (E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide?
(E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 372.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 32996503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).