N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide

C28H28N2O4S — CID 56968836

About N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide

N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide (PubChem CID 56968836) has the molecular formula C28H28N2O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide
• PubChem CID: 56968836
• Molecular Formula: C28H28N2O4S
• Molecular Weight: 488.61 g/mol
• Exact Mass: 488.18
• IUPAC Name: N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide
• SMILES: Cc1ccc(C)c(COc2cc(NC(=O)c3ccc4ccccc4c3)ccc2N(C)S(C)(=O)=O)c1
• InChI: InChI=1S/C28H28N2O4S/c1-19-9-10-20(2)24(15-19)18-34-27-17-25(13-14-26(27)30(3)35(4,32)33)29-28(31)23-12-11-21-7-5-6-8-22(21)16-23/h5-17H,18H2,1-4H3,(H,29,31)
• InChIKey: GAQXUQXQQJVEJH-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.61
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide?

The IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide (CID 56968836) is N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide?

The canonical SMILES for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide is Cc1ccc(C)c(COc2cc(NC(=O)c3ccc4ccccc4c3)ccc2N(C)S(C)(=O)=O)c1.

What is the InChIKey of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide?

The InChIKey is GAQXUQXQQJVEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4S/c1-19-9-10-20(2)24(15-19)18-34-27-17-25(13-14-26(27)30(3)35(4,32)33)29-28(31)23-12-11-21-7-5-6-8-22(21)16-23/h5-17H,18H2,1-4H3,(H,29,31).

What are the key properties of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide?

N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 56968836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).