(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide

C29H25ClN2O3S — CID 28589712

IUPAC(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C29H25ClN2O3S/c1-20-9-8-10-21(2)28(20)32-36(34,35)25-17-15-24(16-18-25)31-29(33)26(22-11-4-3-5-12-22)19-23-13-6-7-14-27(23)30/h3-19,32H,1-2H3,(H,31,33)/b26-19+
InChIKeyXIUIAXFDYULHNM-LGUFXXKBSA-N
MW517.05 g/mol
LogP6.94
Rot. Bonds7

About (E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide

(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide (PubChem CID 28589712) has the molecular formula C29H25ClN2O3S and a molecular weight of 517.05 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
PubChem CID28589712
Molecular FormulaC29H25ClN2O3S
Molecular Weight517.05 g/mol
Exact Mass516.13
IUPAC Name(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C29H25ClN2O3S/c1-20-9-8-10-21(2)28(20)32-36(34,35)25-17-15-24(16-18-25)31-29(33)26(22-11-4-3-5-12-22)19-23-13-6-7-14-27(23)30/h3-19,32H,1-2H3,(H,31,33)/b26-19+
InChIKeyXIUIAXFDYULHNM-LGUFXXKBSA-N
XLogP6.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.05
LogP ≤ 56.94
H-Bond Donors ≤ 52
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

(E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 6518487
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide
CID 2175514
(E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 126177677
N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 1320171
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
CID 126140872
2-cyano-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 3730795
3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1322752
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
CID 6523072
3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
CID 2915971

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide (CID 28589712) is (E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide?
The InChIKey is XIUIAXFDYULHNM-LGUFXXKBSA-N. The full InChI is InChI=1S/C29H25ClN2O3S/c1-20-9-8-10-21(2)28(20)32-36(34,35)25-17-15-24(16-18-25)31-29(33)26(22-11-4-3-5-12-22)19-23-13-6-7-14-27(23)30/h3-19,32H,1-2H3,(H,31,33)/b26-19+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide has a molecular weight of 517.05 g/mol, XLogP of 6.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide is sourced from PubChem (CID 28589712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).