6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide

C23H25NO5S — CID 133161889

IUPAC6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide
SMILESCOc1ccc2c(c1)C(NS(=O)(=O)c1ccc3cc(OC)ccc3c1)CC(C)(C)O2
InChIInChI=1S/C23H25NO5S/c1-23(2)14-21(20-13-18(28-4)8-10-22(20)29-23)24-30(25,26)19-9-6-15-11-17(27-3)7-5-16(15)12-19/h5-13,21,24H,14H2,1-4H3
InChIKeyWTZIUDMXWHDQCY-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.44
Rot. Bonds5

About 6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide

6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide (PubChem CID 133161889) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is 6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide
PubChem CID133161889
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC Name6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide
SMILESCOc1ccc2c(c1)C(NS(=O)(=O)c1ccc3cc(OC)ccc3c1)CC(C)(C)O2
InChIInChI=1S/C23H25NO5S/c1-23(2)14-21(20-13-18(28-4)8-10-22(20)29-23)24-30(25,26)19-9-6-15-11-17(27-3)7-5-16(15)12-19/h5-13,21,24H,14H2,1-4H3
InChIKeyWTZIUDMXWHDQCY-UHFFFAOYSA-N
XLogP4.44
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100720962
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 132668925
5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide
CID 133178491
methyl 5-[(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-2-methylbenzoate
CID 133202226
3-benzyl-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100743312
N-[5-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100590709
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 100622453
N-[5-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 100754686
N-[5-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 133162962
6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2-sulfonamide
CID 6473379
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide (CID 133161889) is 6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide is COc1ccc2c(c1)C(NS(=O)(=O)c1ccc3cc(OC)ccc3c1)CC(C)(C)O2.
What is the InChIKey of 6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide?
The InChIKey is WTZIUDMXWHDQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-23(2)14-21(20-13-18(28-4)8-10-22(20)29-23)24-30(25,26)19-9-6-15-11-17(27-3)7-5-16(15)12-19/h5-13,21,24H,14H2,1-4H3.
What are the key properties of 6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide?
6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide has a molecular weight of 427.52 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 133161889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).