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

C25H22N2O4S2 — CID 55954536

IUPACN-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCc1cccc(COc2ccccc2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C25H22N2O4S2/c28-25(21-11-13-22(14-12-21)27-33(29,30)24-10-5-15-32-24)26-17-19-6-4-7-20(16-19)18-31-23-8-2-1-3-9-23/h1-16,27H,17-18H2,(H,26,28)
InChIKeyPOKNGBYFRVJVMK-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.06
Rot. Bonds9

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

N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55954536) has the molecular formula C25H22N2O4S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55954536
Molecular FormulaC25H22N2O4S2
Molecular Weight478.60 g/mol
Exact Mass478.10
IUPAC NameN-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCc1cccc(COc2ccccc2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C25H22N2O4S2/c28-25(21-11-13-22(14-12-21)27-33(29,30)24-10-5-15-32-24)26-17-19-6-4-7-20(16-19)18-31-23-8-2-1-3-9-23/h1-16,27H,17-18H2,(H,26,28)
InChIKeyPOKNGBYFRVJVMK-UHFFFAOYSA-N
XLogP5.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 46466645
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39171548
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55578020
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 97064358
4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide
CID 60517147
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642

Frequently Asked Questions

What is the IUPAC name of N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 55954536) is N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCc1cccc(COc2ccccc2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is POKNGBYFRVJVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S2/c28-25(21-11-13-22(14-12-21)27-33(29,30)24-10-5-15-32-24)26-17-19-6-4-7-20(16-19)18-31-23-8-2-1-3-9-23/h1-16,27H,17-18H2,(H,26,28).
What are the key properties of N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 478.60 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55954536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).