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

C17H16N2O3S — CID 715200

IUPACN-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide
SMILESCc1cc2c(c(SCC(=O)N(C)c3ccccc3)n1)C(=O)OC2
InChIInChI=1S/C17H16N2O3S/c1-11-8-12-9-22-17(21)15(12)16(18-11)23-10-14(20)19(2)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3
InChIKeyLNYVUOUSOYNVLE-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.82
Rot. Bonds4

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

N-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide (PubChem CID 715200) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide
PubChem CID715200
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide
SMILESCc1cc2c(c(SCC(=O)N(C)c3ccccc3)n1)C(=O)OC2
InChIInChI=1S/C17H16N2O3S/c1-11-8-12-9-22-17(21)15(12)16(18-11)23-10-14(20)19(2)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3
InChIKeyLNYVUOUSOYNVLE-UHFFFAOYSA-N
XLogP2.82
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide (CID 715200) is N-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide is Cc1cc2c(c(SCC(=O)N(C)c3ccccc3)n1)C(=O)OC2.
What is the InChIKey of N-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is LNYVUOUSOYNVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11-8-12-9-22-17(21)15(12)16(18-11)23-10-14(20)19(2)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3.
What are the key properties of N-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide?
N-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 328.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 715200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).