methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate

C23H21NO6S — CID 135310189

IUPACmethyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2c1C(C(=O)NS(=O)(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C23H21NO6S/c1-29-19-13-12-18(23(26)30-2)21-16(19)10-11-17(21)22(25)24-31(27,28)20-9-5-7-14-6-3-4-8-15(14)20/h3-9,12-13,17H,10-11H2,1-2H3,(H,24,25)
InChIKeyALFDCNODYPQISW-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.17
Rot. Bonds5

About methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate

methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 135310189) has the molecular formula C23H21NO6S and a molecular weight of 439.49 g/mol. Its IUPAC name is methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID135310189
Molecular FormulaC23H21NO6S
Molecular Weight439.49 g/mol
Exact Mass439.11
IUPAC Namemethyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2c1C(C(=O)NS(=O)(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C23H21NO6S/c1-29-19-13-12-18(23(26)30-2)21-16(19)10-11-17(21)22(25)24-31(27,28)20-9-5-7-14-6-3-4-8-15(14)20/h3-9,12-13,17H,10-11H2,1-2H3,(H,24,25)
InChIKeyALFDCNODYPQISW-UHFFFAOYSA-N
XLogP3.17
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309697
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-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309735
5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309977
(4S)-8-cyano-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313383
(4S)-8-chloro-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313371
(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 135313457
8-bromo-5-(2-hydroxy-2-methylpropoxy)-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310012
(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309685
(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310308
4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309781

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate (CID 135310189) is methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate is COC(=O)c1ccc(OC)c2c1C(C(=O)NS(=O)(=O)c1cccc3ccccc13)CC2.
What is the InChIKey of methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is ALFDCNODYPQISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6S/c1-29-19-13-12-18(23(26)30-2)21-16(19)10-11-17(21)22(25)24-31(27,28)20-9-5-7-14-6-3-4-8-15(14)20/h3-9,12-13,17H,10-11H2,1-2H3,(H,24,25).
What are the key properties of methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate?
methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 439.49 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 135310189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).