2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide

C23H19N3O3S — CID 8024111

IUPAC2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide
SMILESO=C(CSc1ccccc1C(=O)Nc1cccc2cccnc12)NCc1ccco1
InChIInChI=1S/C23H19N3O3S/c27-21(25-14-17-8-5-13-29-17)15-30-20-11-2-1-9-18(20)23(28)26-19-10-3-6-16-7-4-12-24-22(16)19/h1-13H,14-15H2,(H,25,27)(H,26,28)
InChIKeyVTUIPIMQKDPKHV-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.49
Rot. Bonds7

About 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide

2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide (PubChem CID 8024111) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide
PubChem CID8024111
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide
SMILESO=C(CSc1ccccc1C(=O)Nc1cccc2cccnc12)NCc1ccco1
InChIInChI=1S/C23H19N3O3S/c27-21(25-14-17-8-5-13-29-17)15-30-20-11-2-1-9-18(20)23(28)26-19-10-3-6-16-7-4-12-24-22(16)19/h1-13H,14-15H2,(H,25,27)(H,26,28)
InChIKeyVTUIPIMQKDPKHV-UHFFFAOYSA-N
XLogP4.49
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109046640
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9224560
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(3-nitrophenyl)benzamide
CID 9411068
N-[4-(cyanomethyl)phenyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9260214
N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9165300
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 17441492
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
N-benzyl-2-quinolin-8-ylsulfanylacetamide
CID 673909
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(furan-2-ylmethyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109231433
2-chloro-N-quinolin-8-ylfuran-3-carboxamide
CID 106685180
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide (CID 8024111) is 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide is O=C(CSc1ccccc1C(=O)Nc1cccc2cccnc12)NCc1ccco1.
What is the InChIKey of 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide?
The InChIKey is VTUIPIMQKDPKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-21(25-14-17-8-5-13-29-17)15-30-20-11-2-1-9-18(20)23(28)26-19-10-3-6-16-7-4-12-24-22(16)19/h1-13H,14-15H2,(H,25,27)(H,26,28).
What are the key properties of 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide?
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide has a molecular weight of 417.49 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 8024111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).