(E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide

C23H21NO3S — CID 164665573

IUPAC(E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C(=C/c2ccccc2C)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-17-12-14-21(15-13-17)28(26,27)24-23(25)22(19-9-4-3-5-10-19)16-20-11-7-6-8-18(20)2/h3-16H,1-2H3,(H,24,25)/b22-16+
InChIKeyNHMGNZIEQHBOGS-CJLVFECKSA-N
MW391.49 g/mol
LogP4.35
Rot. Bonds5

About (E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide

(E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide (PubChem CID 164665573) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide
PubChem CID164665573
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name(E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C(=C/c2ccccc2C)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-17-12-14-21(15-13-17)28(26,27)24-23(25)22(19-9-4-3-5-10-19)16-20-11-7-6-8-18(20)2/h3-16H,1-2H3,(H,24,25)/b22-16+
InChIKeyNHMGNZIEQHBOGS-CJLVFECKSA-N
XLogP4.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
(Z)-6-[tert-butyl(dimethyl)silyl]-N-(4-methylphenyl)sulfonyl-6-oxo-2-phenylhex-2-enamide
CID 138965228
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate
CID 7164051
(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
CID 28589712
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
(2S)-2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]propanoate
CID 7472553
N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 3514861
N-[1-(3,4-dihydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-4-methylbenzenesulfonamide
CID 91585974
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide
CID 146170024

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide (CID 164665573) is (E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide is Cc1ccc(S(=O)(=O)NC(=O)/C(=C/c2ccccc2C)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide?
The InChIKey is NHMGNZIEQHBOGS-CJLVFECKSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-17-12-14-21(15-13-17)28(26,27)24-23(25)22(19-9-4-3-5-10-19)16-20-11-7-6-8-18(20)2/h3-16H,1-2H3,(H,24,25)/b22-16+.
What are the key properties of (E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide?
(E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide has a molecular weight of 391.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide is sourced from PubChem (CID 164665573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).