3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H27NO3S — CID 133262228

IUPAC3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccccc1C
InChIInChI=1S/C21H27NO3S/c1-4-19(18-12-8-5-9-15(18)2)22-26(23,24)21-14-17-11-7-6-10-16(17)13-20(21)25-3/h5,8-9,12-14,19,22H,4,6-7,10-11H2,1-3H3
InChIKeyRVCCAYLFFULXQR-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.31
Rot. Bonds6

About 3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 133262228) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID133262228
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccccc1C
InChIInChI=1S/C21H27NO3S/c1-4-19(18-12-8-5-9-15(18)2)22-26(23,24)21-14-17-11-7-6-10-16(17)13-20(21)25-3/h5,8-9,12-14,19,22H,4,6-7,10-11H2,1-3H3
InChIKeyRVCCAYLFFULXQR-UHFFFAOYSA-N
XLogP4.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133219340
N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133184162
4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 133202228
N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100760048
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100518038
4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836
3-methoxy-N-(3-methylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100702810
methyl 3-[[(1S)-1-(2-methylphenyl)propyl]sulfamoyl]benzoate
CID 100538266
5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 95118942
3-methoxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100575412
2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide
CID 19132718
N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39845386

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 133262228) is 3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CCC(NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccccc1C.
What is the InChIKey of 3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is RVCCAYLFFULXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-4-19(18-12-8-5-9-15(18)2)22-26(23,24)21-14-17-11-7-6-10-16(17)13-20(21)25-3/h5,8-9,12-14,19,22H,4,6-7,10-11H2,1-3H3.
What are the key properties of 3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 373.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 133262228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).