4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide

C24H25N3O4S — CID 6781563

IUPAC4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN/C=C(/C)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-3-31-20-13-15-21(16-14-20)32(29,30)27-23-12-8-7-11-22(23)24(28)26-25-17-18(2)19-9-5-4-6-10-19/h4-17,25,27H,3H2,1-2H3,(H,26,28)/b18-17-
InChIKeyABLLBKKDSJHLOS-ZCXUNETKSA-N
MW451.55 g/mol
LogP4.18
Rot. Bonds9

About 4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide

4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide (PubChem CID 6781563) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide
PubChem CID6781563
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN/C=C(/C)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-3-31-20-13-15-21(16-14-20)32(29,30)27-23-12-8-7-11-22(23)24(28)26-25-17-18(2)19-9-5-4-6-10-19/h4-17,25,27H,3H2,1-2H3,(H,26,28)/b18-17-
InChIKeyABLLBKKDSJHLOS-ZCXUNETKSA-N
XLogP4.18
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.18
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

2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
1-[[2-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-ethylthiourea
CID 2347505
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 25360739
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 4060518
[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7951667
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
N-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24981829

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide (CID 6781563) is 4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN/C=C(/C)c2ccccc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is ABLLBKKDSJHLOS-ZCXUNETKSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-3-31-20-13-15-21(16-14-20)32(29,30)27-23-12-8-7-11-22(23)24(28)26-25-17-18(2)19-9-5-4-6-10-19/h4-17,25,27H,3H2,1-2H3,(H,26,28)/b18-17-.
What are the key properties of 4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide?
4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 451.55 g/mol, XLogP of 4.18, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 6781563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).