2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide

C25H27N3O5S — CID 4060518

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-4-33-21-13-15-22(16-14-21)34(30,31)28-24-8-6-5-7-23(24)25(29)27-26-18(2)17-19-9-11-20(32-3)12-10-19/h5-16,28H,4,17H2,1-3H3,(H,27,29)
InChIKeyMQHFPVVJIGWQTQ-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.24
Rot. Bonds10

About 2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide

2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide (PubChem CID 4060518) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
PubChem CID4060518
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-4-33-21-13-15-22(16-14-21)34(30,31)28-24-8-6-5-7-23(24)25(29)27-26-18(2)17-19-9-11-20(32-3)12-10-19/h5-16,28H,4,17H2,1-3H3,(H,27,29)
InChIKeyMQHFPVVJIGWQTQ-UHFFFAOYSA-N
XLogP4.24
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide
CID 4279962
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46101931
methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate
CID 68579485
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 25360739
1-[[2-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-ethylthiourea
CID 2347505
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
methyl 4-[[2-[[[2-[(4-ethoxyphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 5019268
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
4-ethoxy-N-[2-[[[(Z)-2-phenylprop-1-enyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 6781563

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide (CID 4060518) is 2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C(C)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide?
The InChIKey is MQHFPVVJIGWQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-4-33-21-13-15-22(16-14-21)34(30,31)28-24-8-6-5-7-23(24)25(29)27-26-18(2)17-19-9-11-20(32-3)12-10-19/h5-16,28H,4,17H2,1-3H3,(H,27,29).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide?
2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide has a molecular weight of 481.57 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide is sourced from PubChem (CID 4060518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).