2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

C27H32N2O7S — CID 118755483

IUPAC2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(Cc2cccnc2)Cc2ccc(OC)c(OCC3CCOC3)c2)c1
InChIInChI=1S/C27H32N2O7S/c1-32-23-7-9-25(34-3)27(14-23)37(30,31)29(17-21-5-4-11-28-15-21)16-20-6-8-24(33-2)26(13-20)36-19-22-10-12-35-18-22/h4-9,11,13-15,22H,10,12,16-19H2,1-3H3
InChIKeyDLQJORKUKRIQGV-UHFFFAOYSA-N
MW528.63 g/mol
LogP3.91
Rot. Bonds12

About 2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 118755483) has the molecular formula C27H32N2O7S and a molecular weight of 528.63 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID118755483
Molecular FormulaC27H32N2O7S
Molecular Weight528.63 g/mol
Exact Mass528.19
IUPAC Name2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(Cc2cccnc2)Cc2ccc(OC)c(OCC3CCOC3)c2)c1
InChIInChI=1S/C27H32N2O7S/c1-32-23-7-9-25(34-3)27(14-23)37(30,31)29(17-21-5-4-11-28-15-21)16-20-6-8-24(33-2)26(13-20)36-19-22-10-12-35-18-22/h4-9,11,13-15,22H,10,12,16-19H2,1-3H3
InChIKeyDLQJORKUKRIQGV-UHFFFAOYSA-N
XLogP3.91
TPSA96.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide with MolForge

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Related Compounds

N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 26333291
N-[[4-methoxy-3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 42435212
N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 45174309
2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 45173757
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42481284
4-[3-(cyclopropylmethoxy)-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 10158101
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668627
N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 26354535
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 45233393
4-methoxy-3-(oxolan-3-ylmethoxy)aniline
CID 61313811
1-N,1-N-diethyl-4-N-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
CID 10433759
1-(2,5-dimethoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 51307414

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 118755483) is 2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N(Cc2cccnc2)Cc2ccc(OC)c(OCC3CCOC3)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is DLQJORKUKRIQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O7S/c1-32-23-7-9-25(34-3)27(14-23)37(30,31)29(17-21-5-4-11-28-15-21)16-20-6-8-24(33-2)26(13-20)36-19-22-10-12-35-18-22/h4-9,11,13-15,22H,10,12,16-19H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 528.63 g/mol, XLogP of 3.91, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 118755483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).