2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide

C22H22Br2N2O4S — CID 3330697

IUPAC2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1
InChIInChI=1S/C22H22Br2N2O4S/c1-3-26(4-2)31(28,29)18-9-7-17(8-10-18)25-21(27)14-30-20-12-5-15-13-16(23)6-11-19(15)22(20)24/h5-13H,3-4,14H2,1-2H3,(H,25,27)
InChIKeyDMVMGSCKHJAAGC-UHFFFAOYSA-N
MW570.30 g/mol
LogP5.41
Rot. Bonds8

About 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide

2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 3330697) has the molecular formula C22H22Br2N2O4S and a molecular weight of 570.30 g/mol. Its IUPAC name is 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide
PubChem CID3330697
Molecular FormulaC22H22Br2N2O4S
Molecular Weight570.30 g/mol
Exact Mass567.97
IUPAC Name2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1
InChIInChI=1S/C22H22Br2N2O4S/c1-3-26(4-2)31(28,29)18-9-7-17(8-10-18)25-21(27)14-30-20-12-5-15-13-16(23)6-11-19(15)22(20)24/h5-13H,3-4,14H2,1-2H3,(H,25,27)
InChIKeyDMVMGSCKHJAAGC-UHFFFAOYSA-N
XLogP5.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.30
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,6-dibromonaphthalen-2-yl)oxy-N-(4-methoxyphenyl)acetamide
CID 3326030
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
2-(2-bromo-4-phenylphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 4960656
2-(1-bromonaphthalen-2-yl)oxy-N-(4-sulfamoylphenyl)acetamide
CID 1186575
4-tert-butyl-N-[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]benzamide
CID 3380438
N-[4-(diethylamino)phenyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 3953984
2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 19203120
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-hydroxyphenyl)carbamothioyl]acetamide
CID 5120117
N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3250022
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 2492497
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17188906
N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide
CID 7763002

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide (CID 3330697) is 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1.
What is the InChIKey of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is DMVMGSCKHJAAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Br2N2O4S/c1-3-26(4-2)31(28,29)18-9-7-17(8-10-18)25-21(27)14-30-20-12-5-15-13-16(23)6-11-19(15)22(20)24/h5-13H,3-4,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide?
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 570.30 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3330697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).