N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

C17H20N2O4S — CID 53285943

IUPACN-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H20N2O4S/c20-17(18-12-16-4-3-11-23-16)15-7-5-14(6-8-15)13-24(21,22)19-9-1-2-10-19/h3-8,11H,1-2,9-10,12-13H2,(H,18,20)
InChIKeyIJLPYRXXIXKQEH-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.14
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (PubChem CID 53285943) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
PubChem CID53285943
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H20N2O4S/c20-17(18-12-16-4-3-11-23-16)15-7-5-14(6-8-15)13-24(21,22)19-9-1-2-10-19/h3-8,11H,1-2,9-10,12-13H2,(H,18,20)
InChIKeyIJLPYRXXIXKQEH-UHFFFAOYSA-N
XLogP2.14
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 53286121
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92682536
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299780
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (CID 53285943) is N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(CS(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is IJLPYRXXIXKQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c20-17(18-12-16-4-3-11-23-16)15-7-5-14(6-8-15)13-24(21,22)19-9-1-2-10-19/h3-8,11H,1-2,9-10,12-13H2,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 348.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 53285943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).