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

C24H25FN2O3S — CID 25008478

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

6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide (PubChem CID 25008478) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide
• PubChem CID: 25008478
• Molecular Formula: C24H25FN2O3S
• Molecular Weight: 440.54 g/mol
• Exact Mass: 440.16
• IUPAC Name: 6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide
• SMILES: Cc1cc([C@@H](C)NC(=O)c2ccc3cc(C4CC4)ccc3c2)c(F)cc1NS(C)(=O)=O
• InChI: InChI=1S/C24H25FN2O3S/c1-14-10-21(22(25)13-23(14)27-31(3,29)30)15(2)26-24(28)20-9-8-18-11-17(16-4-5-16)6-7-19(18)12-20/h6-13,15-16,27H,4-5H2,1-3H3,(H,26,28)/t15-/m1/s1
• InChIKey: YWWSROGVALWRNC-OAHLLOKOSA-N
• XLogP: 5.03
• TPSA: 75.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.54
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide (CID 25008478) is 6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide.

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

The canonical SMILES for 6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide is Cc1cc([C@@H](C)NC(=O)c2ccc3cc(C4CC4)ccc3c2)c(F)cc1NS(C)(=O)=O.

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

The InChIKey is YWWSROGVALWRNC-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-14-10-21(22(25)13-23(14)27-31(3,29)30)15(2)26-24(28)20-9-8-18-11-17(16-4-5-16)6-7-19(18)12-20/h6-13,15-16,27H,4-5H2,1-3H3,(H,26,28)/t15-/m1/s1.

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

6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 25008478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).