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

C24H22N2O5S2 — CID 39171548

IUPACN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C24H22N2O5S2/c27-24(20-8-10-21(11-9-20)26-33(28,29)23-7-3-13-32-23)25-15-18-4-1-5-19(14-18)16-30-17-22-6-2-12-31-22/h1-14,26H,15-17H2,(H,25,27)
InChIKeyAXJYFCQBYOHDQM-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.79
Rot. Bonds10

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

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 39171548) has the molecular formula C24H22N2O5S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID39171548
Molecular FormulaC24H22N2O5S2
Molecular Weight482.58 g/mol
Exact Mass482.10
IUPAC NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C24H22N2O5S2/c27-24(20-8-10-21(11-9-20)26-33(28,29)23-7-3-13-32-23)25-15-18-4-1-5-19(14-18)16-30-17-22-6-2-12-31-22/h1-14,26H,15-17H2,(H,25,27)
InChIKeyAXJYFCQBYOHDQM-UHFFFAOYSA-N
XLogP4.79
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55954536
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide
CID 46434217
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56812373
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46442262
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55660962
N-[3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46470414
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(propanoylamino)benzamide
CID 55842112
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 39171548) is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is AXJYFCQBYOHDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S2/c27-24(20-8-10-21(11-9-20)26-33(28,29)23-7-3-13-32-23)25-15-18-4-1-5-19(14-18)16-30-17-22-6-2-12-31-22/h1-14,26H,15-17H2,(H,25,27).
What are the key properties of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 482.58 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 39171548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).