(E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide

C18H16N2O4S — CID 10570243

IUPAC(E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C#C/C=C/C(=O)NO)c2)cc1
InChIInChI=1S/C18H16N2O4S/c1-14-9-11-17(12-10-14)25(23,24)20-16-7-4-6-15(13-16)5-2-3-8-18(21)19-22/h3-4,6-13,20,22H,1H3,(H,19,21)/b8-3+
InChIKeyMMNHSHATJJAWBZ-FPYGCLRLSA-N
MW356.40 g/mol
LogP2.21
Rot. Bonds4

About (E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide

(E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide (PubChem CID 10570243) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is (E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide.

Molecular Properties

Compound Name(E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
PubChem CID10570243
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name(E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C#C/C=C/C(=O)NO)c2)cc1
InChIInChI=1S/C18H16N2O4S/c1-14-9-11-17(12-10-14)25(23,24)20-16-7-4-6-15(13-16)5-2-3-8-18(21)19-22/h3-4,6-13,20,22H,1H3,(H,19,21)/b8-3+
InChIKeyMMNHSHATJJAWBZ-FPYGCLRLSA-N
XLogP2.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
CID 158521764
(E)-5-[3-[(4-nitrophenyl)sulfonylamino]phenyl]pent-2-en-4-ynoic acid
CID 10690638
N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide
CID 170620107
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(3-prop-1-ynylphenyl)benzenesulfonamide
CID 155934453
(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide
CID 58974303
4-chloro-N-[3-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]benzenesulfonamide
CID 164991541
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
methyl 3-[2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]ethynyl]benzoate
CID 31787522

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide?
The IUPAC name of (E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide (CID 10570243) is (E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide.
What is the SMILES notation for (E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide?
The canonical SMILES for (E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide is Cc1ccc(S(=O)(=O)Nc2cccc(C#C/C=C/C(=O)NO)c2)cc1.
What is the InChIKey of (E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide?
The InChIKey is MMNHSHATJJAWBZ-FPYGCLRLSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-14-9-11-17(12-10-14)25(23,24)20-16-7-4-6-15(13-16)5-2-3-8-18(21)19-22/h3-4,6-13,20,22H,1H3,(H,19,21)/b8-3+.
What are the key properties of (E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide?
(E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide has a molecular weight of 356.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide is sourced from PubChem (CID 10570243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).