N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide

C25H26ClFN4O4S2 — CID 169144424

About N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide (PubChem CID 169144424) has the molecular formula C25H26ClFN4O4S2 and a molecular weight of 565.09 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide
• PubChem CID: 169144424
• Molecular Formula: C25H26ClFN4O4S2
• Molecular Weight: 565.09 g/mol
• Exact Mass: 564.11
• IUPAC Name: N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide
• SMILES: Cc1sc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cc1-c1ncc(N2CCC3(CC2)COC3)cc1F
• InChI: InChI=1S/C25H26ClFN4O4S2/c1-15-20(23-21(27)10-19(12-28-23)31-5-3-25(4-6-31)13-35-14-25)11-22(36-15)24(32)29-17-7-16(26)8-18(9-17)30-37(2,33)34/h7-12,30H,3-6,13-14H2,1-2H3,(H,29,32)
• InChIKey: DNGZOWYGUXIBBY-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.09
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?

The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide (CID 169144424) is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide.

What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?

The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cc1-c1ncc(N2CCC3(CC2)COC3)cc1F.

What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?

The InChIKey is DNGZOWYGUXIBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O4S2/c1-15-20(23-21(27)10-19(12-28-23)31-5-3-25(4-6-31)13-35-14-25)11-22(36-15)24(32)29-17-7-16(26)8-18(9-17)30-37(2,33)34/h7-12,30H,3-6,13-14H2,1-2H3,(H,29,32).

What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide?

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide has a molecular weight of 565.09 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 169144424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).