5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide

C22H18ClN5O2S — CID 55852453

About 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide

5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 55852453) has the molecular formula C22H18ClN5O2S and a molecular weight of 451.94 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
• PubChem CID: 55852453
• Molecular Formula: C22H18ClN5O2S
• Molecular Weight: 451.94 g/mol
• Exact Mass: 451.09
• IUPAC Name: 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1ccnc(-n2cccn2)c1
• InChI: InChI=1S/C22H18ClN5O2S/c1-14-11-19(27-21(29)16-5-2-3-6-17(16)23)31-20(14)22(30)25-13-15-7-9-24-18(12-15)28-10-4-8-26-28/h2-12H,13H2,1H3,(H,25,30)(H,27,29)
• InChIKey: LCHDAXYOYATBTQ-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.94
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?

The IUPAC name of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide (CID 55852453) is 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1ccnc(-n2cccn2)c1.

What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?

The InChIKey is LCHDAXYOYATBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2S/c1-14-11-19(27-21(29)16-5-2-3-6-17(16)23)31-20(14)22(30)25-13-15-7-9-24-18(12-15)28-10-4-8-26-28/h2-12H,13H2,1H3,(H,25,30)(H,27,29).

What are the key properties of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?

5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 451.94 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55852453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).