N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide

C30H19N5O5S2 — CID 143133058

IUPACN-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide
SMILESO=Nc1cccc(S(=O)(=O)NC(=O)c2cccc(-c3nc(-c4ccc(-c5csc(-c6ccccc6)n5)cc4)no3)c2)c1
InChIInChI=1S/C30H19N5O5S2/c36-28(35-42(38,39)25-11-5-10-24(17-25)33-37)22-8-4-9-23(16-22)29-32-27(34-40-29)20-14-12-19(13-15-20)26-18-41-30(31-26)21-6-2-1-3-7-21/h1-18H,(H,35,36)
InChIKeyCPTGAORLAPVTFH-UHFFFAOYSA-N
MW593.65 g/mol
LogP6.71
Rot. Bonds8

About N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide

N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 143133058) has the molecular formula C30H19N5O5S2 and a molecular weight of 593.65 g/mol. Its IUPAC name is N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID143133058
Molecular FormulaC30H19N5O5S2
Molecular Weight593.65 g/mol
Exact Mass593.08
IUPAC NameN-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide
SMILESO=Nc1cccc(S(=O)(=O)NC(=O)c2cccc(-c3nc(-c4ccc(-c5csc(-c6ccccc6)n5)cc4)no3)c2)c1
InChIInChI=1S/C30H19N5O5S2/c36-28(35-42(38,39)25-11-5-10-24(17-25)33-37)22-8-4-9-23(16-22)29-32-27(34-40-29)20-14-12-19(13-15-20)26-18-41-30(31-26)21-6-2-1-3-7-21/h1-18H,(H,35,36)
InChIKeyCPTGAORLAPVTFH-UHFFFAOYSA-N
XLogP6.71
TPSA144.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.65
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide (CID 143133058) is N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide is O=Nc1cccc(S(=O)(=O)NC(=O)c2cccc(-c3nc(-c4ccc(-c5csc(-c6ccccc6)n5)cc4)no3)c2)c1.
What is the InChIKey of N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is CPTGAORLAPVTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N5O5S2/c36-28(35-42(38,39)25-11-5-10-24(17-25)33-37)22-8-4-9-23(16-22)29-32-27(34-40-29)20-14-12-19(13-15-20)26-18-41-30(31-26)21-6-2-1-3-7-21/h1-18H,(H,35,36).
What are the key properties of N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide?
N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 593.65 g/mol, XLogP of 6.71, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrosophenyl)sulfonyl-3-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 143133058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).