N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C24H21N3O4S2 — CID 46466645

IUPACN-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C24H21N3O4S2/c28-24(20-7-9-21(10-8-20)27-33(29,30)23-4-2-14-32-23)26-16-18-5-11-22(12-6-18)31-17-19-3-1-13-25-15-19/h1-15,27H,16-17H2,(H,26,28)
InChIKeyJQIOIPIOIKMYIJ-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.45
Rot. Bonds9

About N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 46466645) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID46466645
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC NameN-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C24H21N3O4S2/c28-24(20-7-9-21(10-8-20)27-33(29,30)23-4-2-14-32-23)26-16-18-5-11-22(12-6-18)31-17-19-3-1-13-25-15-19/h1-15,27H,16-17H2,(H,26,28)
InChIKeyJQIOIPIOIKMYIJ-UHFFFAOYSA-N
XLogP4.45
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55954536
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708042
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713
N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55578020
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 46466645) is N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is JQIOIPIOIKMYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c28-24(20-7-9-21(10-8-20)27-33(29,30)23-4-2-14-32-23)26-16-18-5-11-22(12-6-18)31-17-19-3-1-13-25-15-19/h1-15,27H,16-17H2,(H,26,28).
What are the key properties of N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 479.58 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 46466645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).