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

C26H25FN2O4S2 — CID 42406466

IUPAC2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2F)ccc1OCCc1cccs1
InChIInChI=1S/C26H25FN2O4S2/c1-32-25-17-20(11-12-24(25)33-15-13-22-8-6-16-34-22)18-29(19-21-7-4-5-14-28-21)35(30,31)26-10-3-2-9-23(26)27/h2-12,14,16-17H,13,15,18-19H2,1H3
InChIKeyOEIGETITEZGGGE-UHFFFAOYSA-N
MW512.63 g/mol
LogP5.30
Rot. Bonds11

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

2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 42406466) has the molecular formula C26H25FN2O4S2 and a molecular weight of 512.63 g/mol. Its IUPAC name is 2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID42406466
Molecular FormulaC26H25FN2O4S2
Molecular Weight512.63 g/mol
Exact Mass512.12
IUPAC Name2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2F)ccc1OCCc1cccs1
InChIInChI=1S/C26H25FN2O4S2/c1-32-25-17-20(11-12-24(25)33-15-13-22-8-6-16-34-22)18-29(19-21-7-4-5-14-28-21)35(30,31)26-10-3-2-9-23(26)27/h2-12,14,16-17H,13,15,18-19H2,1H3
InChIKeyOEIGETITEZGGGE-UHFFFAOYSA-N
XLogP5.30
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide with MolForge

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Related Compounds

2,6-difluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 45173406
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-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084730
N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-1-methyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 45195678
N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-3-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 45185432
2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35305554
3-fluoro-4-methoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084554
5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 52907215
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46022510
2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084948
N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906814

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 42406466) is 2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1cc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2F)ccc1OCCc1cccs1.
What is the InChIKey of 2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is OEIGETITEZGGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4S2/c1-32-25-17-20(11-12-24(25)33-15-13-22-8-6-16-34-22)18-29(19-21-7-4-5-14-28-21)35(30,31)26-10-3-2-9-23(26)27/h2-12,14,16-17H,13,15,18-19H2,1H3.
What are the key properties of 2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 512.63 g/mol, XLogP of 5.30, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 42406466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).