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

C28H28N2O6S — CID 67282774

IUPACN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(OC)c(COc2cc(NC(=O)c3ccc4ccccc4c3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C28H28N2O6S/c1-30(37(4,32)33)25-13-11-23(29-28(31)21-10-9-19-7-5-6-8-20(19)15-21)17-27(25)36-18-22-16-24(34-2)12-14-26(22)35-3/h5-17H,18H2,1-4H3,(H,29,31)
InChIKeySLMOKSUYGKINKM-UHFFFAOYSA-N
MW520.61 g/mol
LogP5.08
Rot. Bonds9

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

N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide (PubChem CID 67282774) has the molecular formula C28H28N2O6S and a molecular weight of 520.61 g/mol. Its IUPAC name is N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide
PubChem CID67282774
Molecular FormulaC28H28N2O6S
Molecular Weight520.61 g/mol
Exact Mass520.17
IUPAC NameN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(OC)c(COc2cc(NC(=O)c3ccc4ccccc4c3)ccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C28H28N2O6S/c1-30(37(4,32)33)25-13-11-23(29-28(31)21-10-9-19-7-5-6-8-20(19)15-21)17-27(25)36-18-22-16-24(34-2)12-14-26(22)35-3/h5-17H,18H2,1-4H3,(H,29,31)
InChIKeySLMOKSUYGKINKM-UHFFFAOYSA-N
XLogP5.08
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide (CID 67282774) is N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide is COc1ccc(OC)c(COc2cc(NC(=O)c3ccc4ccccc4c3)ccc2N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide?
The InChIKey is SLMOKSUYGKINKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6S/c1-30(37(4,32)33)25-13-11-23(29-28(31)21-10-9-19-7-5-6-8-20(19)15-21)17-27(25)36-18-22-16-24(34-2)12-14-26(22)35-3/h5-17H,18H2,1-4H3,(H,29,31).
What are the key properties of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide?
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide has a molecular weight of 520.61 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 67282774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).