N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide

C25H22F4N4O3S — CID 67105470

About N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide

N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide (PubChem CID 67105470) has the molecular formula C25H22F4N4O3S and a molecular weight of 534.54 g/mol. Its IUPAC name is N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide
• PubChem CID: 67105470
• Molecular Formula: C25H22F4N4O3S
• Molecular Weight: 534.54 g/mol
• Exact Mass: 534.13
• IUPAC Name: N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide
• SMILES: Cc1cc([C@@H](C)NC(=O)c2ccc3cc(-n4nccc4C(F)(F)F)ccc3c2)c(F)cc1NS(C)(=O)=O
• InChI: InChI=1S/C25H22F4N4O3S/c1-14-10-20(21(26)13-22(14)32-37(3,35)36)15(2)31-24(34)18-5-4-17-12-19(7-6-16(17)11-18)33-23(8-9-30-33)25(27,28)29/h4-13,15,32H,1-3H3,(H,31,34)/t15-/m1/s1
• InChIKey: PDQTVOKVRCIFFF-OAHLLOKOSA-N
• XLogP: 5.35
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.54
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide?

The IUPAC name of N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide (CID 67105470) is N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide?

The canonical SMILES for N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide is Cc1cc([C@@H](C)NC(=O)c2ccc3cc(-n4nccc4C(F)(F)F)ccc3c2)c(F)cc1NS(C)(=O)=O.

What is the InChIKey of N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide?

The InChIKey is PDQTVOKVRCIFFF-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H22F4N4O3S/c1-14-10-20(21(26)13-22(14)32-37(3,35)36)15(2)31-24(34)18-5-4-17-12-19(7-6-16(17)11-18)33-23(8-9-30-33)25(27,28)29/h4-13,15,32H,1-3H3,(H,31,34)/t15-/m1/s1.

What are the key properties of N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide?

N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide has a molecular weight of 534.54 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 67105470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).