(E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide

C24H24N2O3S — CID 9157609

IUPAC(E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)/C=C/c2ccccc2)c2cccnc2)cc1C
InChIInChI=1S/C24H24N2O3S/c1-18-10-12-22(15-19(18)2)30(28,29)23(21-9-6-14-25-16-21)17-26-24(27)13-11-20-7-4-3-5-8-20/h3-16,23H,17H2,1-2H3,(H,26,27)/b13-11+/t23-/m0/s1
InChIKeyGEQDZLURHAKSMH-BWSGXRDBSA-N
MW420.53 g/mol
LogP4.04
Rot. Bonds7

About (E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide

(E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide (PubChem CID 9157609) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is (E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide
PubChem CID9157609
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name(E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)/C=C/c2ccccc2)c2cccnc2)cc1C
InChIInChI=1S/C24H24N2O3S/c1-18-10-12-22(15-19(18)2)30(28,29)23(21-9-6-14-25-16-21)17-26-24(27)13-11-20-7-4-3-5-8-20/h3-16,23H,17H2,1-2H3,(H,26,27)/b13-11+/t23-/m0/s1
InChIKeyGEQDZLURHAKSMH-BWSGXRDBSA-N
XLogP4.04
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9157462
(E)-3-phenyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]prop-2-enamide
CID 9152454
N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157423
3-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9157472
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide
CID 9157485
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-fluorobenzamide
CID 9157535
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 38997835
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 9153385
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide (CID 9157609) is (E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide is Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)/C=C/c2ccccc2)c2cccnc2)cc1C.
What is the InChIKey of (E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide?
The InChIKey is GEQDZLURHAKSMH-BWSGXRDBSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-18-10-12-22(15-19(18)2)30(28,29)23(21-9-6-14-25-16-21)17-26-24(27)13-11-20-7-4-3-5-8-20/h3-16,23H,17H2,1-2H3,(H,26,27)/b13-11+/t23-/m0/s1.
What are the key properties of (E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide?
(E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide has a molecular weight of 420.53 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9157609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).