2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide

C18H23NO5S2 — CID 134161844

IUPAC2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(c2cccs2)C2CCOCC2)c1
InChIInChI=1S/C18H23NO5S2/c1-22-14-5-6-15(23-2)17(12-14)26(20,21)19-18(16-4-3-11-25-16)13-7-9-24-10-8-13/h3-6,11-13,18-19H,7-10H2,1-2H3
InChIKeyWGNFHSWAOAQVFZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.21
Rot. Bonds7

About 2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide

2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 134161844) has the molecular formula C18H23NO5S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide
PubChem CID134161844
Molecular FormulaC18H23NO5S2
Molecular Weight397.52 g/mol
Exact Mass397.10
IUPAC Name2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(c2cccs2)C2CCOCC2)c1
InChIInChI=1S/C18H23NO5S2/c1-22-14-5-6-15(23-2)17(12-14)26(20,21)19-18(16-4-3-11-25-16)13-7-9-24-10-8-13/h3-6,11-13,18-19H,7-10H2,1-2H3
InChIKeyWGNFHSWAOAQVFZ-UHFFFAOYSA-N
XLogP3.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 30835834
2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 6131907
2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 8816503
2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 112840118
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 30717717
2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide
CID 126855328
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 41180985
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
2,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322519

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide (CID 134161844) is 2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC(c2cccs2)C2CCOCC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is WGNFHSWAOAQVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S2/c1-22-14-5-6-15(23-2)17(12-14)26(20,21)19-18(16-4-3-11-25-16)13-7-9-24-10-8-13/h3-6,11-13,18-19H,7-10H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide?
2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 397.52 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[oxan-4-yl(thiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 134161844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).