N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide

C27H28N4O3S — CID 69001751

About N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide

N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 69001751) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide
• PubChem CID: 69001751
• Molecular Formula: C27H28N4O3S
• Molecular Weight: 488.61 g/mol
• Exact Mass: 488.19
• IUPAC Name: N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide
• SMILES: Cc1ccsc1C(=O)Nc1ccc(OCCN2CCOCC2)cc1/C=C/c1n[nH]c2ccccc12
• InChI: InChI=1S/C27H28N4O3S/c1-19-10-17-35-26(19)27(32)28-23-9-7-21(34-16-13-31-11-14-33-15-12-31)18-20(23)6-8-25-22-4-2-3-5-24(22)29-30-25/h2-10,17-18H,11-16H2,1H3,(H,28,32)(H,29,30)/b8-6+
• InChIKey: WOEACDYPUJXUFO-SOFGYWHQSA-N
• XLogP: 5.07
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.61
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide?

The IUPAC name of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide (CID 69001751) is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide.

What is the SMILES notation for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide?

The canonical SMILES for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(OCCN2CCOCC2)cc1/C=C/c1n[nH]c2ccccc12.

What is the InChIKey of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide?

The InChIKey is WOEACDYPUJXUFO-SOFGYWHQSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-19-10-17-35-26(19)27(32)28-23-9-7-21(34-16-13-31-11-14-33-15-12-31)18-20(23)6-8-25-22-4-2-3-5-24(22)29-30-25/h2-10,17-18H,11-16H2,1H3,(H,28,32)(H,29,30)/b8-6+.

What are the key properties of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide?

N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 69001751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).