1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

C24H25ClF2N4O3S2 — CID 11706695

About 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 11706695) has the molecular formula C24H25ClF2N4O3S2 and a molecular weight of 555.07 g/mol. Its IUPAC name is 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
• PubChem CID: 11706695
• Molecular Formula: C24H25ClF2N4O3S2
• Molecular Weight: 555.07 g/mol
• Exact Mass: 554.10
• IUPAC Name: 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
• SMILES: CC(c1cnc(CN2CCCC(C(N)=O)C2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H25ClF2N4O3S2/c1-15(22-12-29-23(35-22)14-30-10-2-3-16(13-30)24(28)32)31(21-11-18(26)6-9-20(21)27)36(33,34)19-7-4-17(25)5-8-19/h4-9,11-12,15-16H,2-3,10,13-14H2,1H3,(H2,28,32)
• InChIKey: SDEJMCJZLAJYDV-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 96.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.07
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?

The IUPAC name of 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (CID 11706695) is 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is CC(c1cnc(CN2CCCC(C(N)=O)C2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.

What is the InChIKey of 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?

The InChIKey is SDEJMCJZLAJYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N4O3S2/c1-15(22-12-29-23(35-22)14-30-10-2-3-16(13-30)24(28)32)31(21-11-18(26)6-9-20(21)27)36(33,34)19-7-4-17(25)5-8-19/h4-9,11-12,15-16H,2-3,10,13-14H2,1H3,(H2,28,32).

What are the key properties of 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?

1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 555.07 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 11706695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).