N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide

C23H19N3OS — CID 68999306

IUPACN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccccc2/C=C/c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C23H19N3OS/c1-28-18-13-10-17(11-14-18)23(27)24-20-8-4-2-6-16(20)12-15-22-19-7-3-5-9-21(19)25-26-22/h2-15H,1H3,(H,24,27)(H,25,26)/b15-12+
InChIKeySNADWBJCYRNXGE-NTCAYCPXSA-N
MW385.49 g/mol
LogP5.71
Rot. Bonds5

About N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide

N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide (PubChem CID 68999306) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide
PubChem CID68999306
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC NameN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccccc2/C=C/c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C23H19N3OS/c1-28-18-13-10-17(11-14-18)23(27)24-20-8-4-2-6-16(20)12-15-22-19-7-3-5-9-21(19)25-26-22/h2-15H,1H3,(H,24,27)(H,25,26)/b15-12+
InChIKeySNADWBJCYRNXGE-NTCAYCPXSA-N
XLogP5.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide
CID 86628199
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide
CID 68999169
5-acetamido-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide
CID 68999027
5-bromo-N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thiophene-2-carboxamide
CID 68999664
4-bromo-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
CID 69000757
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide
CID 68999694
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 68998412
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 68998416
2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
CID 68996590
4-[2-(1H-indazol-3-yl)ethenyl]-3-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 69001401
4-[(E)-2-(1H-indazol-3-yl)ethenyl]-3-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 68999288
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]benzenesulfonamide
CID 69002102

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide (CID 68999306) is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccccc2/C=C/c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide?
The InChIKey is SNADWBJCYRNXGE-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-28-18-13-10-17(11-14-18)23(27)24-20-8-4-2-6-16(20)12-15-22-19-7-3-5-9-21(19)25-26-22/h2-15H,1H3,(H,24,27)(H,25,26)/b15-12+.
What are the key properties of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide?
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide has a molecular weight of 385.49 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 68999306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).