6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide

C23H26N2O3S — CID 133161449

IUPAC6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)NCCCN3c4ccccc4CC3C)ccc2c1
InChIInChI=1S/C23H26N2O3S/c1-17-14-20-6-3-4-7-23(20)25(17)13-5-12-24-29(26,27)22-11-9-18-15-21(28-2)10-8-19(18)16-22/h3-4,6-11,15-17,24H,5,12-14H2,1-2H3
InChIKeyICANWZMYCQQYNP-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.97
Rot. Bonds7

About 6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide

6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide (PubChem CID 133161449) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide
PubChem CID133161449
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)NCCCN3c4ccccc4CC3C)ccc2c1
InChIInChI=1S/C23H26N2O3S/c1-17-14-20-6-3-4-7-23(20)25(17)13-5-12-24-29(26,27)22-11-9-18-15-21(28-2)10-8-19(18)16-22/h3-4,6-11,15-17,24H,5,12-14H2,1-2H3
InChIKeyICANWZMYCQQYNP-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 133189855
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
3-ethyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100726632
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 42982393
4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide
CID 133224920
1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 78885927
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide
CID 21091967
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide
CID 133304084

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide (CID 133161449) is 6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)NCCCN3c4ccccc4CC3C)ccc2c1.
What is the InChIKey of 6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide?
The InChIKey is ICANWZMYCQQYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-17-14-20-6-3-4-7-23(20)25(17)13-5-12-24-29(26,27)22-11-9-18-15-21(28-2)10-8-19(18)16-22/h3-4,6-11,15-17,24H,5,12-14H2,1-2H3.
What are the key properties of 6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide?
6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 133161449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).