5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide

C23H22ClFN4O2S — CID 67077991

About 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide

5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 67077991) has the molecular formula C23H22ClFN4O2S and a molecular weight of 472.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
• PubChem CID: 67077991
• Molecular Formula: C23H22ClFN4O2S
• Molecular Weight: 472.97 g/mol
• Exact Mass: 472.11
• IUPAC Name: 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
• SMILES: O=C(Nc1cccc(F)c1)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CCCNC1
• InChI: InChI=1S/C23H22ClFN4O2S/c24-15-8-6-14(7-9-15)20-12-19(29-23(31)28-17-4-1-3-16(25)11-17)21(32-20)22(30)27-18-5-2-10-26-13-18/h1,3-4,6-9,11-12,18,26H,2,5,10,13H2,(H,27,30)(H2,28,29,31)/t18-/m0/s1
• InChIKey: VPKDEPFCTCQCBK-SFHVURJKSA-N
• XLogP: 5.33
• TPSA: 82.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.97
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (CID 67077991) is 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide is O=C(Nc1cccc(F)c1)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CCCNC1.

What is the InChIKey of 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?

The InChIKey is VPKDEPFCTCQCBK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22ClFN4O2S/c24-15-8-6-14(7-9-15)20-12-19(29-23(31)28-17-4-1-3-16(25)11-17)21(32-20)22(30)27-18-5-2-10-26-13-18/h1,3-4,6-9,11-12,18,26H,2,5,10,13H2,(H,27,30)(H2,28,29,31)/t18-/m0/s1.

What are the key properties of 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?

5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 472.97 g/mol, XLogP of 5.33, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-3-[(3-fluorophenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67077991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).