N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide

C26H24N2O6S2 — CID 6265496

IUPACN-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide
SMILESCc1ccc(S(=O)(=O)/C(=C\c2ccc(/C=C(\NC=O)S(=O)(=O)c3ccc(C)cc3)cc2)NC=O)cc1
InChIInChI=1S/C26H24N2O6S2/c1-19-3-11-23(12-4-19)35(31,32)25(27-17-29)15-21-7-9-22(10-8-21)16-26(28-18-30)36(33,34)24-13-5-20(2)6-14-24/h3-18H,1-2H3,(H,27,29)(H,28,30)/b25-15-,26-16+
InChIKeyBZFRPPQQTZDOLL-WFOJNGAISA-N
MW524.62 g/mol
LogP3.34
Rot. Bonds10

About N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide

N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide (PubChem CID 6265496) has the molecular formula C26H24N2O6S2 and a molecular weight of 524.62 g/mol. Its IUPAC name is N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide.

Molecular Properties

Compound NameN-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide
PubChem CID6265496
Molecular FormulaC26H24N2O6S2
Molecular Weight524.62 g/mol
Exact Mass524.11
IUPAC NameN-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide
SMILESCc1ccc(S(=O)(=O)/C(=C\c2ccc(/C=C(\NC=O)S(=O)(=O)c3ccc(C)cc3)cc2)NC=O)cc1
InChIInChI=1S/C26H24N2O6S2/c1-19-3-11-23(12-4-19)35(31,32)25(27-17-29)15-21-7-9-22(10-8-21)16-26(28-18-30)36(33,34)24-13-5-20(2)6-14-24/h3-18H,1-2H3,(H,27,29)(H,28,30)/b25-15-,26-16+
InChIKeyBZFRPPQQTZDOLL-WFOJNGAISA-N
XLogP3.34
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide?
The IUPAC name of N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide (CID 6265496) is N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide.
What is the SMILES notation for N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide?
The canonical SMILES for N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide is Cc1ccc(S(=O)(=O)/C(=C\c2ccc(/C=C(\NC=O)S(=O)(=O)c3ccc(C)cc3)cc2)NC=O)cc1.
What is the InChIKey of N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide?
The InChIKey is BZFRPPQQTZDOLL-WFOJNGAISA-N. The full InChI is InChI=1S/C26H24N2O6S2/c1-19-3-11-23(12-4-19)35(31,32)25(27-17-29)15-21-7-9-22(10-8-21)16-26(28-18-30)36(33,34)24-13-5-20(2)6-14-24/h3-18H,1-2H3,(H,27,29)(H,28,30)/b25-15-,26-16+.
What are the key properties of N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide?
N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide has a molecular weight of 524.62 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide is sourced from PubChem (CID 6265496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).