N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide

C21H22N2O5S — CID 46696333

IUPACN-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc2cc(CNS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)ccc2c1
InChIInChI=1S/C21H22N2O5S/c1-14(24)23-20-12-19(8-9-21(20)28-3)29(25,26)22-13-15-4-5-17-11-18(27-2)7-6-16(17)10-15/h4-12,22H,13H2,1-3H3,(H,23,24)
InChIKeyQLCAKAUPWAKORY-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.29
Rot. Bonds7

About N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide

N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 46696333) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID46696333
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC NameN-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc2cc(CNS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)ccc2c1
InChIInChI=1S/C21H22N2O5S/c1-14(24)23-20-12-19(8-9-21(20)28-3)29(25,26)22-13-15-4-5-17-11-18(27-2)7-6-16(17)10-15/h4-12,22H,13H2,1-3H3,(H,23,24)
InChIKeyQLCAKAUPWAKORY-UHFFFAOYSA-N
XLogP3.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
CID 56921177
N-[5-(furan-2-ylmethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 2991258
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
N-[2-methoxy-5-[(2-methylpropan-2-yl)oxysulfamoyl]phenyl]acetamide
CID 82725075
3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
CID 31109957
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
N-[2-methoxy-5-[(thiophen-2-ylsulfonylamino)methyl]phenyl]acetamide
CID 110783971
[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191389
N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8801525
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
N-[(6-methoxynaphthalen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 46696307

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide (CID 46696333) is N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide is COc1ccc2cc(CNS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)ccc2c1.
What is the InChIKey of N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is QLCAKAUPWAKORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-14(24)23-20-12-19(8-9-21(20)28-3)29(25,26)22-13-15-4-5-17-11-18(27-2)7-6-16(17)10-15/h4-12,22H,13H2,1-3H3,(H,23,24).
What are the key properties of N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide?
N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 414.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 46696333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).