N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide

C26H18I2N2O2S — CID 66554979

IUPACN-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide
SMILESO=C(Nc1ccccc1I)c1ccccc1Sc1ccccc1C(=O)Nc1ccccc1I
InChIInChI=1S/C26H18I2N2O2S/c27-19-11-3-5-13-21(19)29-25(31)17-9-1-7-15-23(17)33-24-16-8-2-10-18(24)26(32)30-22-14-6-4-12-20(22)28/h1-16H,(H,29,31)(H,30,32)
InChIKeyKTBOALZREULUNM-UHFFFAOYSA-N
MW676.32 g/mol
LogP7.55
Rot. Bonds6

About N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide

N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide (PubChem CID 66554979) has the molecular formula C26H18I2N2O2S and a molecular weight of 676.32 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide
PubChem CID66554979
Molecular FormulaC26H18I2N2O2S
Molecular Weight676.32 g/mol
Exact Mass675.92
IUPAC NameN-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide
SMILESO=C(Nc1ccccc1I)c1ccccc1Sc1ccccc1C(=O)Nc1ccccc1I
InChIInChI=1S/C26H18I2N2O2S/c27-19-11-3-5-13-21(19)29-25(31)17-9-1-7-15-23(17)33-24-16-8-2-10-18(24)26(32)30-22-14-6-4-12-20(22)28/h1-16H,(H,29,31)(H,30,32)
InChIKeyKTBOALZREULUNM-UHFFFAOYSA-N
XLogP7.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.32
LogP ≤ 57.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide?
The IUPAC name of N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide (CID 66554979) is N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide.
What is the SMILES notation for N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide?
The canonical SMILES for N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide is O=C(Nc1ccccc1I)c1ccccc1Sc1ccccc1C(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide?
The InChIKey is KTBOALZREULUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18I2N2O2S/c27-19-11-3-5-13-21(19)29-25(31)17-9-1-7-15-23(17)33-24-16-8-2-10-18(24)26(32)30-22-14-6-4-12-20(22)28/h1-16H,(H,29,31)(H,30,32).
What are the key properties of N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide?
N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide has a molecular weight of 676.32 g/mol, XLogP of 7.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide is sourced from PubChem (CID 66554979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).