N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

C17H17N3O4S — CID 5308004

IUPACN-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H17N3O4S/c1-20(12-16(21)19-11-14-7-4-10-24-14)25(22,23)15-8-2-5-13-6-3-9-18-17(13)15/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyXNWHOOIAQRZATH-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.76
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (PubChem CID 5308004) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
PubChem CID5308004
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H17N3O4S/c1-20(12-16(21)19-11-14-7-4-10-24-14)25(22,23)15-8-2-5-13-6-3-9-18-17(13)15/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyXNWHOOIAQRZATH-UHFFFAOYSA-N
XLogP1.76
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (CID 5308004) is N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The InChIKey is XNWHOOIAQRZATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-20(12-16(21)19-11-14-7-4-10-24-14)25(22,23)15-8-2-5-13-6-3-9-18-17(13)15/h2-10H,11-12H2,1H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide has a molecular weight of 359.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 5308004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).