N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide

C20H22N2O3S — CID 3242445

IUPACN-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCC(CCc1ccco1)NC(=O)CSc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C20H22N2O3S/c1-14(9-10-15-6-5-11-25-15)21-19(23)13-26-18-12-20(24)22(2)17-8-4-3-7-16(17)18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,21,23)
InChIKeyPSOMLXHKCGSJDS-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.36
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide

N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide (PubChem CID 3242445) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
PubChem CID3242445
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCC(CCc1ccco1)NC(=O)CSc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C20H22N2O3S/c1-14(9-10-15-6-5-11-25-15)21-19(23)13-26-18-12-20(24)22(2)17-8-4-3-7-16(17)18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,21,23)
InChIKeyPSOMLXHKCGSJDS-UHFFFAOYSA-N
XLogP3.36
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide (CID 3242445) is N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide is CC(CCc1ccco1)NC(=O)CSc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The InChIKey is PSOMLXHKCGSJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14(9-10-15-6-5-11-25-15)21-19(23)13-26-18-12-20(24)22(2)17-8-4-3-7-16(17)18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide has a molecular weight of 370.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 3242445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).