5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C23H23NO5S — CID 135309963

IUPAC5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc2c(c1OC)CCCC2C(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C23H23NO5S/c1-28-20-14-13-17-18(22(20)29-2)10-6-11-19(17)23(25)24-30(26,27)21-12-5-8-15-7-3-4-9-16(15)21/h3-5,7-9,12-14,19H,6,10-11H2,1-2H3,(H,24,25)
InChIKeyYUSRVKFXTUFPIS-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.78
Rot. Bonds5

About 5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 135309963) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is 5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID135309963
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Name5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc2c(c1OC)CCCC2C(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C23H23NO5S/c1-28-20-14-13-17-18(22(20)29-2)10-6-11-19(17)23(25)24-30(26,27)21-12-5-8-15-7-3-4-9-16(15)21/h3-5,7-9,12-14,19H,6,10-11H2,1-2H3,(H,24,25)
InChIKeyYUSRVKFXTUFPIS-UHFFFAOYSA-N
XLogP3.78
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310155
(1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309852
(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309697
5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309977
methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 135310189
8-bromo-5-(2-hydroxy-2-methylpropoxy)-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310012
(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 135313457
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309735
4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310046
(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309685
(4S)-8-chloro-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313371

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 135309963) is 5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccc2c(c1OC)CCCC2C(=O)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is YUSRVKFXTUFPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-28-20-14-13-17-18(22(20)29-2)10-6-11-19(17)23(25)24-30(26,27)21-12-5-8-15-7-3-4-9-16(15)21/h3-5,7-9,12-14,19H,6,10-11H2,1-2H3,(H,24,25).
What are the key properties of 5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 135309963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).