(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide

C24H20N2O3S — CID 58974303

IUPAC(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide
SMILESCc1ccccc1NC(=O)/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3S/c1-19-9-5-7-13-23(19)25-24(27)14-8-6-10-20-15-17-21(18-16-20)26-30(28,29)22-11-3-2-4-12-22/h2-5,7-9,11-18,26H,1H3,(H,25,27)/b14-8+
InChIKeyXWMULGYBFQEDMS-RIYZIHGNSA-N
MW416.50 g/mol
LogP4.34
Rot. Bonds5

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

(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide (PubChem CID 58974303) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is (E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide.

Molecular Properties

Compound Name(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide
PubChem CID58974303
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide
SMILESCc1ccccc1NC(=O)/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3S/c1-19-9-5-7-13-23(19)25-24(27)14-8-6-10-20-15-17-21(18-16-20)26-30(28,29)22-11-3-2-4-12-22/h2-5,7-9,11-18,26H,1H3,(H,25,27)/b14-8+
InChIKeyXWMULGYBFQEDMS-RIYZIHGNSA-N
XLogP4.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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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
(Z)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 2179282
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea
CID 22011348
(E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
CID 10570243
methyl 3-[4-(benzenesulfonamido)phenyl]prop-2-enoate
CID 67019618
4-oxo-4-[4-(phenylsulfamoyl)anilino]but-2-enoic acid
CID 927105
methyl (E)-4-(2-methylanilino)-4-oxobut-2-enoate
CID 12621199
N-(2-aminophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 85314407
N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide
CID 170620107

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide?
The IUPAC name of (E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide (CID 58974303) is (E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide.
What is the SMILES notation for (E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide?
The canonical SMILES for (E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide is Cc1ccccc1NC(=O)/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide?
The InChIKey is XWMULGYBFQEDMS-RIYZIHGNSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-19-9-5-7-13-23(19)25-24(27)14-8-6-10-20-15-17-21(18-16-20)26-30(28,29)22-11-3-2-4-12-22/h2-5,7-9,11-18,26H,1H3,(H,25,27)/b14-8+.
What are the key properties of (E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide?
(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide has a molecular weight of 416.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide is sourced from PubChem (CID 58974303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).