N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide

C21H17N3OS — CID 68999169

IUPACN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2/C=C/c2n[nH]c3ccccc23)s1
InChIInChI=1S/C21H17N3OS/c1-14-10-13-20(26-14)21(25)22-17-8-4-2-6-15(17)11-12-19-16-7-3-5-9-18(16)23-24-19/h2-13H,1H3,(H,22,25)(H,23,24)/b12-11+
InChIKeyPUQNZSZNONUCAZ-VAWYXSNFSA-N
MW359.45 g/mol
LogP5.36
Rot. Bonds4

About N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide

N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 68999169) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide
PubChem CID68999169
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2/C=C/c2n[nH]c3ccccc23)s1
InChIInChI=1S/C21H17N3OS/c1-14-10-13-20(26-14)21(25)22-17-8-4-2-6-15(17)11-12-19-16-7-3-5-9-18(16)23-24-19/h2-13H,1H3,(H,22,25)(H,23,24)/b12-11+
InChIKeyPUQNZSZNONUCAZ-VAWYXSNFSA-N
XLogP5.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
4-bromo-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
CID 69000757
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide
CID 68999306
4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide
CID 86628199
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide
CID 68999694
2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
CID 68996590
3-[2-(2-methylphenyl)ethenyl]-1H-indazole
CID 69049104
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]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide (CID 68999169) is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccccc2/C=C/c2n[nH]c3ccccc23)s1.
What is the InChIKey of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is PUQNZSZNONUCAZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-14-10-13-20(26-14)21(25)22-17-8-4-2-6-15(17)11-12-19-16-7-3-5-9-18(16)23-24-19/h2-13H,1H3,(H,22,25)(H,23,24)/b12-11+.
What are the key properties of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide?
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 5.36, 4 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]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 68999169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).