(E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide

C17H18N2O6S — CID 5353770

IUPAC(E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1OC
InChIInChI=1S/C17H18N2O6S/c1-24-15-9-8-14(11-16(15)25-2)26(22,23)19-13-6-3-12(4-7-13)5-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-5+
InChIKeyMWBVVOSAOJSWLG-BJMVGYQFSA-N
MW378.41 g/mol
LogP2.02
Rot. Bonds7

About (E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 5353770) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is (E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID5353770
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name(E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1OC
InChIInChI=1S/C17H18N2O6S/c1-24-15-9-8-14(11-16(15)25-2)26(22,23)19-13-6-3-12(4-7-13)5-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-5+
InChIKeyMWBVVOSAOJSWLG-BJMVGYQFSA-N
XLogP2.02
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide (CID 5353770) is (E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide is COc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1OC.
What is the InChIKey of (E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is MWBVVOSAOJSWLG-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-24-15-9-8-14(11-16(15)25-2)26(22,23)19-13-6-3-12(4-7-13)5-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-5+.
What are the key properties of (E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 378.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 5353770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).