2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide

C24H25N3O4S — CID 25360739

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C\[C@H](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/h4-18,27H,3H2,1-2H3,(H,26,28)/b25-17-/t18-/m0/s1
InChIKeyVOTMDKJCUAMCQR-UEVJXJNKSA-N
MW451.55 g/mol
LogP4.41
Rot. Bonds9

About 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide

2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide (PubChem CID 25360739) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
PubChem CID25360739
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C\[C@H](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/h4-18,27H,3H2,1-2H3,(H,26,28)/b25-17-/t18-/m0/s1
InChIKeyVOTMDKJCUAMCQR-UEVJXJNKSA-N
XLogP4.41
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 6781563
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 4060518
1-[[2-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-ethylthiourea
CID 2347505
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 135562401
methyl 4-[[2-[[[2-[(4-ethoxyphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 5019268
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875867

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide (CID 25360739) is 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C\[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
The InChIKey is VOTMDKJCUAMCQR-UEVJXJNKSA-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/h4-18,27H,3H2,1-2H3,(H,26,28)/b25-17-/t18-/m0/s1.
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide has a molecular weight of 451.55 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide is sourced from PubChem (CID 25360739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).