N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

C22H20FN3O7S — CID 42558382

About N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 42558382) has the molecular formula C22H20FN3O7S and a molecular weight of 489.48 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 42558382
• Molecular Formula: C22H20FN3O7S
• Molecular Weight: 489.48 g/mol
• Exact Mass: 489.10
• IUPAC Name: N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(N[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc(F)cc1)c1ccco1
• InChI: InChI=1S/C22H20FN3O7S/c23-15-5-7-16(8-6-15)34(30,31)20(24-19(27)17-3-1-13-32-17)22(29)26-11-9-25(10-12-26)21(28)18-4-2-14-33-18/h1-8,13-14,20H,9-12H2,(H,24,27)/t20-/m0/s1
• InChIKey: GHZXZHXVSGMOPT-FQEVSTJZSA-N
• XLogP: 1.53
• TPSA: 130.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.48
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 42558382) is N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is O=C(N[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc(F)cc1)c1ccco1.

What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is GHZXZHXVSGMOPT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20FN3O7S/c23-15-5-7-16(8-6-15)34(30,31)20(24-19(27)17-3-1-13-32-17)22(29)26-11-9-25(10-12-26)21(28)18-4-2-14-33-18/h1-8,13-14,20H,9-12H2,(H,24,27)/t20-/m0/s1.

What are the key properties of N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 489.48 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 42558382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).