(E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide

C25H25N3O5S — CID 55350825

IUPAC(E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1C
InChIInChI=1S/C25H25N3O5S/c1-18-8-13-23(16-19(18)2)33-17-24(29)26-27-25(30)21-9-11-22(12-10-21)28-34(31,32)15-14-20-6-4-3-5-7-20/h3-16,28H,17H2,1-2H3,(H,26,29)(H,27,30)/b15-14+
InChIKeyPWAILJPXTQAEHI-CCEZHUSRSA-N
MW479.56 g/mol
LogP3.56
Rot. Bonds8

About (E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide

(E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide (PubChem CID 55350825) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is (E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide
PubChem CID55350825
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name(E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1C
InChIInChI=1S/C25H25N3O5S/c1-18-8-13-23(16-19(18)2)33-17-24(29)26-27-25(30)21-9-11-22(12-10-21)28-34(31,32)15-14-20-6-4-3-5-7-20/h3-16,28H,17H2,1-2H3,(H,26,29)(H,27,30)/b15-14+
InChIKeyPWAILJPXTQAEHI-CCEZHUSRSA-N
XLogP3.56
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24638590
4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846175
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 26846171
N-(5-acetamido-2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55692087
1-phenyl-3-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]thiourea
CID 24644076
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
CID 24640952
(E)-N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]-2-phenylethenesulfonamide
CID 6215450
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 24661370
N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide (CID 55350825) is (E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide is Cc1ccc(OCC(=O)NNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1C.
What is the InChIKey of (E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide?
The InChIKey is PWAILJPXTQAEHI-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-18-8-13-23(16-19(18)2)33-17-24(29)26-27-25(30)21-9-11-22(12-10-21)28-34(31,32)15-14-20-6-4-3-5-7-20/h3-16,28H,17H2,1-2H3,(H,26,29)(H,27,30)/b15-14+.
What are the key properties of (E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide?
(E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide has a molecular weight of 479.56 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 55350825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).