2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

C26H24F2N2O4S2 — CID 45173406

IUPAC2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(CN(Cc2ccccn2)S(=O)(=O)c2c(F)cccc2F)ccc1OCCc1cccs1
InChIInChI=1S/C26H24F2N2O4S2/c1-33-25-16-19(10-11-24(25)34-14-12-21-7-5-15-35-21)17-30(18-20-6-2-3-13-29-20)36(31,32)26-22(27)8-4-9-23(26)28/h2-11,13,15-16H,12,14,17-18H2,1H3
InChIKeyMIJAZOZBRQOHFY-UHFFFAOYSA-N
MW530.62 g/mol
LogP5.44
Rot. Bonds11

About 2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 45173406) has the molecular formula C26H24F2N2O4S2 and a molecular weight of 530.62 g/mol. Its IUPAC name is 2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID45173406
Molecular FormulaC26H24F2N2O4S2
Molecular Weight530.62 g/mol
Exact Mass530.11
IUPAC Name2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(CN(Cc2ccccn2)S(=O)(=O)c2c(F)cccc2F)ccc1OCCc1cccs1
InChIInChI=1S/C26H24F2N2O4S2/c1-33-25-16-19(10-11-24(25)34-14-12-21-7-5-15-35-21)17-30(18-20-6-2-3-13-29-20)36(31,32)26-22(27)8-4-9-23(26)28/h2-11,13,15-16H,12,14,17-18H2,1H3
InChIKeyMIJAZOZBRQOHFY-UHFFFAOYSA-N
XLogP5.44
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 42406466
N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
CID 42273986
N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 26282283
2,6-difluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906808
N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-3-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 45185432
N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-1-methyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 45195678
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 26330935
3-fluoro-4-methoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084554
2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189250
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 42701827
1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 63774071
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 45173406) is 2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1cc(CN(Cc2ccccn2)S(=O)(=O)c2c(F)cccc2F)ccc1OCCc1cccs1.
What is the InChIKey of 2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is MIJAZOZBRQOHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O4S2/c1-33-25-16-19(10-11-24(25)34-14-12-21-7-5-15-35-21)17-30(18-20-6-2-3-13-29-20)36(31,32)26-22(27)8-4-9-23(26)28/h2-11,13,15-16H,12,14,17-18H2,1H3.
What are the key properties of 2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 530.62 g/mol, XLogP of 5.44, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 45173406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).