4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C22H20BrNO4S — CID 135309735

IUPAC4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCCOc1ccc(Br)c2c1C(C(=O)NS(=O)(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C22H20BrNO4S/c1-2-28-19-13-12-18(23)16-10-11-17(21(16)19)22(25)24-29(26,27)20-9-5-7-14-6-3-4-8-15(14)20/h3-9,12-13,17H,2,10-11H2,1H3,(H,24,25)
InChIKeyLUPCWRUSROTDNE-UHFFFAOYSA-N
MW474.38 g/mol
LogP4.54
Rot. Bonds5

About 4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide

4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309735) has the molecular formula C22H20BrNO4S and a molecular weight of 474.38 g/mol. Its IUPAC name is 4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309735
Molecular FormulaC22H20BrNO4S
Molecular Weight474.38 g/mol
Exact Mass473.03
IUPAC Name4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCCOc1ccc(Br)c2c1C(C(=O)NS(=O)(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C22H20BrNO4S/c1-2-28-19-13-12-18(23)16-10-11-17(21(16)19)22(25)24-29(26,27)20-9-5-7-14-6-3-4-8-15(14)20/h3-9,12-13,17H,2,10-11H2,1H3,(H,24,25)
InChIKeyLUPCWRUSROTDNE-UHFFFAOYSA-N
XLogP4.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-5-(2-hydroxy-2-methylpropoxy)-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310012
(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
4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309781
5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309963
4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310046
4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309885
(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
5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309977
(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 135313457
(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 4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135309735) is 4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide is CCOc1ccc(Br)c2c1C(C(=O)NS(=O)(=O)c1cccc3ccccc13)CC2.
What is the InChIKey of 4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is LUPCWRUSROTDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO4S/c1-2-28-19-13-12-18(23)16-10-11-17(21(16)19)22(25)24-29(26,27)20-9-5-7-14-6-3-4-8-15(14)20/h3-9,12-13,17H,2,10-11H2,1H3,(H,24,25).
What are the key properties of 4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 474.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).