N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide

C26H22Cl2N2O4S — CID 67282333

IUPACN-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide
SMILESCS(=O)(=O)CNc1ccc(NC(=O)c2ccc3ccccc3c2)cc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C26H22Cl2N2O4S/c1-35(32,33)16-29-24-11-9-22(14-25(24)34-15-20-13-21(27)8-10-23(20)28)30-26(31)19-7-6-17-4-2-3-5-18(17)12-19/h2-14,29H,15-16H2,1H3,(H,30,31)
InChIKeyNACBAZNYRQNTEX-UHFFFAOYSA-N
MW529.45 g/mol
LogP6.39
Rot. Bonds8

About N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide

N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide (PubChem CID 67282333) has the molecular formula C26H22Cl2N2O4S and a molecular weight of 529.45 g/mol. Its IUPAC name is N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide
PubChem CID67282333
Molecular FormulaC26H22Cl2N2O4S
Molecular Weight529.45 g/mol
Exact Mass528.07
IUPAC NameN-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide
SMILESCS(=O)(=O)CNc1ccc(NC(=O)c2ccc3ccccc3c2)cc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C26H22Cl2N2O4S/c1-35(32,33)16-29-24-11-9-22(14-25(24)34-15-20-13-21(27)8-10-23(20)28)30-26(31)19-7-6-17-4-2-3-5-18(17)12-19/h2-14,29H,15-16H2,1H3,(H,30,31)
InChIKeyNACBAZNYRQNTEX-UHFFFAOYSA-N
XLogP6.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.45
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]naphthalene-2-carboxamide
CID 18419514
N-(4-chloro-2-methylphenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 8813256
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
CID 55466634
4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide
CID 59673439
N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide
CID 45483389
N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide
CID 57385283

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide (CID 67282333) is N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide is CS(=O)(=O)CNc1ccc(NC(=O)c2ccc3ccccc3c2)cc1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide?
The InChIKey is NACBAZNYRQNTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O4S/c1-35(32,33)16-29-24-11-9-22(14-25(24)34-15-20-13-21(27)8-10-23(20)28)30-26(31)19-7-6-17-4-2-3-5-18(17)12-19/h2-14,29H,15-16H2,1H3,(H,30,31).
What are the key properties of N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide?
N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide has a molecular weight of 529.45 g/mol, XLogP of 6.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 67282333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).