1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide

C21H24N2O4S — CID 86973585

IUPAC1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
SMILESCOc1ccc2c(c1)CCCC2CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C21H24N2O4S/c1-27-17-6-8-19-15(11-17)3-2-4-16(19)12-21(24)23-10-9-14-5-7-18(13-20(14)23)28(22,25)26/h5-8,11,13,16H,2-4,9-10,12H2,1H3,(H2,22,25,26)
InChIKeyFYSXNPONGBXNDM-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.74
Rot. Bonds4

About 1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide

1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 86973585) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID86973585
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
SMILESCOc1ccc2c(c1)CCCC2CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C21H24N2O4S/c1-27-17-6-8-19-15(11-17)3-2-4-16(19)12-21(24)23-10-9-14-5-7-18(13-20(14)23)28(22,25)26/h5-8,11,13,16H,2-4,9-10,12H2,1H3,(H2,22,25,26)
InChIKeyFYSXNPONGBXNDM-UHFFFAOYSA-N
XLogP2.74
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide with MolForge

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Related Compounds

1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one
CID 95589805
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 100867766
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-sulfonamide
CID 115000583
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119760453
1-(6-methoxy-2,3-dihydroindol-1-yl)butane-1,3-dione
CID 19612116
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
N-(1-hydroxy-2-methylpropan-2-yl)-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 110000682
2-[6-[2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 69177503
[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889892

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide (CID 86973585) is 1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide is COc1ccc2c(c1)CCCC2CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of 1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is FYSXNPONGBXNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-27-17-6-8-19-15(11-17)3-2-4-16(19)12-21(24)23-10-9-14-5-7-18(13-20(14)23)28(22,25)26/h5-8,11,13,16H,2-4,9-10,12H2,1H3,(H2,22,25,26).
What are the key properties of 1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 400.50 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 86973585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).