1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C30H28FN5O5S2 — CID 4123479

About 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 4123479) has the molecular formula C30H28FN5O5S2 and a molecular weight of 621.72 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
• PubChem CID: 4123479
• Molecular Formula: C30H28FN5O5S2
• Molecular Weight: 621.72 g/mol
• Exact Mass: 621.15
• IUPAC Name: 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
• SMILES: COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)c2)cc1
• InChI: InChI=1S/C30H28FN5O5S2/c1-19-25-18-28(42-30(25)36(33-19)22-7-3-20(31)4-8-22)29(37)32-26-17-24(11-12-27(26)35-13-15-41-16-14-35)43(38,39)34-21-5-9-23(40-2)10-6-21/h3-12,17-18,34H,13-16H2,1-2H3,(H,32,37)
• InChIKey: FMNCZIPQCNQVQT-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 114.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.72
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 4123479) is 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)c2)cc1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?

The InChIKey is FMNCZIPQCNQVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O5S2/c1-19-25-18-28(42-30(25)36(33-19)22-7-3-20(31)4-8-22)29(37)32-26-17-24(11-12-27(26)35-13-15-41-16-14-35)43(38,39)34-21-5-9-23(40-2)10-6-21/h3-12,17-18,34H,13-16H2,1-2H3,(H,32,37).

What are the key properties of 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?

1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 621.72 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 4123479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).