N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide

C19H20N2O3S — CID 1267760

IUPACN-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(C)cc2c1C(=O)OC2
InChIInChI=1S/C19H20N2O3S/c1-3-21(10-14-7-5-4-6-8-14)16(22)12-25-18-17-15(9-13(2)20-18)11-24-19(17)23/h4-9H,3,10-12H2,1-2H3
InChIKeyUPGSJFKVBDTLEV-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.20
Rot. Bonds6

About N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide

N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide (PubChem CID 1267760) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide
PubChem CID1267760
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(C)cc2c1C(=O)OC2
InChIInChI=1S/C19H20N2O3S/c1-3-21(10-14-7-5-4-6-8-14)16(22)12-25-18-17-15(9-13(2)20-18)11-24-19(17)23/h4-9H,3,10-12H2,1-2H3
InChIKeyUPGSJFKVBDTLEV-UHFFFAOYSA-N
XLogP3.20
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide (CID 1267760) is N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide is CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc2c1C(=O)OC2.
What is the InChIKey of N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide?
The InChIKey is UPGSJFKVBDTLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-21(10-14-7-5-4-6-8-14)16(22)12-25-18-17-15(9-13(2)20-18)11-24-19(17)23/h4-9H,3,10-12H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide?
N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide has a molecular weight of 356.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 1267760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).