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

C18H16N2O5S — CID 10339233

IUPAC(E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C#C/C=C/C(=O)NO)c2)cc1
InChIInChI=1S/C18H16N2O5S/c1-25-16-9-11-17(12-10-16)26(23,24)20-15-7-4-6-14(13-15)5-2-3-8-18(21)19-22/h3-4,6-13,20,22H,1H3,(H,19,21)/b8-3+
InChIKeySUPLGHQUCGSVSA-FPYGCLRLSA-N
MW372.40 g/mol
LogP1.91
Rot. Bonds5

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

(E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide (PubChem CID 10339233) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is (E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide.

Molecular Properties

Compound Name(E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
PubChem CID10339233
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name(E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C#C/C=C/C(=O)NO)c2)cc1
InChIInChI=1S/C18H16N2O5S/c1-25-16-9-11-17(12-10-16)26(23,24)20-15-7-4-6-14(13-15)5-2-3-8-18(21)19-22/h3-4,6-13,20,22H,1H3,(H,19,21)/b8-3+
InChIKeySUPLGHQUCGSVSA-FPYGCLRLSA-N
XLogP1.91
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(2E)-3-(3-(((4-Methoxyphenyl)sulfonyl)amino)phenyl)-2-propenoic acid
CID 805419
NJ65Yjm5PE
CID 5353770
(E)-N-hydroxy-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 9902895
(E)-3-[3-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 9969900
(E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide
CID 10111698
(E)-3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 10134605
N-Hydroxy-3-[4-(4-methoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10247137
(E)-N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10269218
3-[4-(3,4-Dimethoxy-phenylsulfamoyl)-phenyl]-N-hydroxy-acrylamide
CID 11036226
(E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 11406292
3-[4-[4-(Trifluoromethoxy)phenylsulfonylamino]phenyl]-2-propenehydroximic acid
CID 22986786
(2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide
CID 11280685

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide?
The IUPAC name of (E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide (CID 10339233) is (E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide.
What is the SMILES notation for (E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide?
The canonical SMILES for (E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide is COc1ccc(S(=O)(=O)Nc2cccc(C#C/C=C/C(=O)NO)c2)cc1.
What is the InChIKey of (E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide?
The InChIKey is SUPLGHQUCGSVSA-FPYGCLRLSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-25-16-9-11-17(12-10-16)26(23,24)20-15-7-4-6-14(13-15)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-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide?
(E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide has a molecular weight of 372.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide is sourced from PubChem (CID 10339233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).