N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C22H29NO5S — CID 133184162

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H29NO5S/c1-5-18(17-10-11-19(26-2)20(13-17)27-3)23-29(24,25)22-14-16-9-7-6-8-15(16)12-21(22)28-4/h10-14,18,23H,5-9H2,1-4H3
InChIKeyKADXHTMOGGIEMI-UHFFFAOYSA-N
MW419.54 g/mol
LogP4.02
Rot. Bonds8

About N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 133184162) has the molecular formula C22H29NO5S and a molecular weight of 419.54 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID133184162
Molecular FormulaC22H29NO5S
Molecular Weight419.54 g/mol
Exact Mass419.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H29NO5S/c1-5-18(17-10-11-19(26-2)20(13-17)27-3)23-29(24,25)22-14-16-9-7-6-8-15(16)12-21(22)28-4/h10-14,18,23H,5-9H2,1-4H3
InChIKeyKADXHTMOGGIEMI-UHFFFAOYSA-N
XLogP4.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethylphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133219340
3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133262228
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133210573
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
N-[1-(3,4-dimethoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133231412
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
3-methoxy-N-(3-methylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100702810
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 133184162) is N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CCC(NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is KADXHTMOGGIEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5S/c1-5-18(17-10-11-19(26-2)20(13-17)27-3)23-29(24,25)22-14-16-9-7-6-8-15(16)12-21(22)28-4/h10-14,18,23H,5-9H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 419.54 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 133184162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).