2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide

C26H26N2O2S — CID 5247691

IUPAC2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide
SMILESO=S1(=O)N(Cc2ccccc2)CC=C(C=Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C26H26N2O2S/c29-31(30)27(20-24-12-6-2-7-13-24)19-18-26(17-16-23-10-4-1-5-11-23)22-28(31)21-25-14-8-3-9-15-25/h1-18H,19-22H2
InChIKeyASZNZWLVZDBTIK-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.89
Rot. Bonds6

About 2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide

2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide (PubChem CID 5247691) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide.

Molecular Properties

Compound Name2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide
PubChem CID5247691
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide
SMILESO=S1(=O)N(Cc2ccccc2)CC=C(C=Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C26H26N2O2S/c29-31(30)27(20-24-12-6-2-7-13-24)19-18-26(17-16-23-10-4-1-5-11-23)22-28(31)21-25-14-8-3-9-15-25/h1-18H,19-22H2
InChIKeyASZNZWLVZDBTIK-UHFFFAOYSA-N
XLogP4.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide with MolForge

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Related Compounds

1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
1-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 67583405
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
(4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide
CID 132527658
1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 1376754
1-benzyl-3-[(E)-2-(1-benzyl-2,5-dihydro-1-benzazepin-3-yl)ethenyl]-2,5-dihydro-1-benzazepine
CID 134837655
1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine
CID 67582460
1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 67583435
1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 15818890
(2-benzyl-1,1-dioxo-3H-1,2-thiazol-4-yl) trifluoromethanesulfonate
CID 139389874
1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine
CID 122219060
bis(1-benzyl-4-[2-(3,4-difluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine);hydrate;dihydrochloride
CID 173303356

Frequently Asked Questions

What is the IUPAC name of 2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide?
The IUPAC name of 2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide (CID 5247691) is 2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide.
What is the SMILES notation for 2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide?
The canonical SMILES for 2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide is O=S1(=O)N(Cc2ccccc2)CC=C(C=Cc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide?
The InChIKey is ASZNZWLVZDBTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c29-31(30)27(20-24-12-6-2-7-13-24)19-18-26(17-16-23-10-4-1-5-11-23)22-28(31)21-25-14-8-3-9-15-25/h1-18H,19-22H2.
What are the key properties of 2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide?
2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide has a molecular weight of 430.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide is sourced from PubChem (CID 5247691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).