N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide

C17H20N2O5S — CID 110343621

IUPACN-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)CCO1
InChIInChI=1S/C17H20N2O5S/c1-13-12-19(7-9-23-13)25(21,22)16-6-2-4-14(10-16)17(20)18-11-15-5-3-8-24-15/h2-6,8,10,13H,7,9,11-12H2,1H3,(H,18,20)
InChIKeyQCKRNFSHHIFVGD-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.62
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide

N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 110343621) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
PubChem CID110343621
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)CCO1
InChIInChI=1S/C17H20N2O5S/c1-13-12-19(7-9-23-13)25(21,22)16-6-2-4-14(10-16)17(20)18-11-15-5-3-8-24-15/h2-6,8,10,13H,7,9,11-12H2,1H3,(H,18,20)
InChIKeyQCKRNFSHHIFVGD-UHFFFAOYSA-N
XLogP1.62
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide
CID 110343642
N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343662
N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343671
3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 110352531
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9080360
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4800684
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
3-(dipropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 26909549

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide (CID 110343621) is N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)CCO1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is QCKRNFSHHIFVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-13-12-19(7-9-23-13)25(21,22)16-6-2-4-14(10-16)17(20)18-11-15-5-3-8-24-15/h2-6,8,10,13H,7,9,11-12H2,1H3,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 110343621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).