N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

C24H22FN3O6S — CID 41201756

About N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 41201756) has the molecular formula C24H22FN3O6S and a molecular weight of 499.52 g/mol. Its IUPAC name is N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 41201756
• Molecular Formula: C24H22FN3O6S
• Molecular Weight: 499.52 g/mol
• Exact Mass: 499.12
• IUPAC Name: N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(N[C@H](C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)S(=O)(=O)c1ccccc1)c1ccco1
• InChI: InChI=1S/C24H22FN3O6S/c25-18-7-4-6-17(16-18)23(30)27-11-13-28(14-12-27)24(31)22(26-21(29)20-10-5-15-34-20)35(32,33)19-8-2-1-3-9-19/h1-10,15-16,22H,11-14H2,(H,26,29)/t22-/m0/s1
• InChIKey: NXAUOAATOLYGED-QFIPXVFZSA-N
• XLogP: 1.93
• TPSA: 117.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.52
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 41201756) is N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is O=C(N[C@H](C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)S(=O)(=O)c1ccccc1)c1ccco1.

What is the InChIKey of N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is NXAUOAATOLYGED-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22FN3O6S/c25-18-7-4-6-17(16-18)23(30)27-11-13-28(14-12-27)24(31)22(26-21(29)20-10-5-15-34-20)35(32,33)19-8-2-1-3-9-19/h1-10,15-16,22H,11-14H2,(H,26,29)/t22-/m0/s1.

What are the key properties of N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 499.52 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(benzenesulfonyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 41201756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).