5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C29H24F3NO4S — CID 135309977

IUPAC5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)c2c1CCCC2C(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C29H24F3NO4S/c1-37-25-17-16-22(19-12-14-20(15-13-19)29(30,31)32)27-23(25)9-5-10-24(27)28(34)33-38(35,36)26-11-4-7-18-6-2-3-8-21(18)26/h2-4,6-8,11-17,24H,5,9-10H2,1H3,(H,33,34)
InChIKeyTYNIFOACSLUCPE-UHFFFAOYSA-N
MW539.58 g/mol
LogP6.46
Rot. Bonds5

About 5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 135309977) has the molecular formula C29H24F3NO4S and a molecular weight of 539.58 g/mol. Its IUPAC name is 5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID135309977
Molecular FormulaC29H24F3NO4S
Molecular Weight539.58 g/mol
Exact Mass539.14
IUPAC Name5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)c2c1CCCC2C(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C29H24F3NO4S/c1-37-25-17-16-22(19-12-14-20(15-13-19)29(30,31)32)27-23(25)9-5-10-24(27)28(34)33-38(35,36)26-11-4-7-18-6-2-3-8-21(18)26/h2-4,6-8,11-17,24H,5,9-10H2,1H3,(H,33,34)
InChIKeyTYNIFOACSLUCPE-UHFFFAOYSA-N
XLogP6.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.58
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309963
(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309697
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
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
(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 135313457
4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310046
4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309735
(4S)-8-chloro-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313371
(4S)-8-cyano-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313383
(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309685

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 135309977) is 5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccc(-c2ccc(C(F)(F)F)cc2)c2c1CCCC2C(=O)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is TYNIFOACSLUCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3NO4S/c1-37-25-17-16-22(19-12-14-20(15-13-19)29(30,31)32)27-23(25)9-5-10-24(27)28(34)33-38(35,36)26-11-4-7-18-6-2-3-8-21(18)26/h2-4,6-8,11-17,24H,5,9-10H2,1H3,(H,33,34).
What are the key properties of 5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 539.58 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 135309977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).