N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide

C23H27N3O5S — CID 46361580

IUPACN-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)o1
InChIInChI=1S/C23H27N3O5S/c1-16-9-11-25(12-10-16)32(29,30)20-6-7-21-18(13-20)4-8-23(28)26(21)15-22(27)24-14-19-5-3-17(2)31-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyFRSIOOWJRLCSEO-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.64
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide

N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide (PubChem CID 46361580) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide
PubChem CID46361580
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)o1
InChIInChI=1S/C23H27N3O5S/c1-16-9-11-25(12-10-16)32(29,30)20-6-7-21-18(13-20)4-8-23(28)26(21)15-22(27)24-14-19-5-3-17(2)31-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyFRSIOOWJRLCSEO-UHFFFAOYSA-N
XLogP2.64
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20903108
1-(1-ethylindol-5-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 20966237
methyl 4-[[2-(2-oxo-6-pyrrolidin-1-ylsulfonylquinolin-1-yl)acetyl]amino]benzoate
CID 46361550
2-chloro-N-[(5-methylfuran-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387394
N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide
CID 55856871
N-(2,3-dimethylphenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 20868479
N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 93059020
2-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 20918936
N-[(4-methylphenyl)methyl]-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 126458519
N-(3-ethylphenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 20868490
3-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 92666366
N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 20973698

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide (CID 46361580) is N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide is Cc1ccc(CNC(=O)Cn2c(=O)ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide?
The InChIKey is FRSIOOWJRLCSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-16-9-11-25(12-10-16)32(29,30)20-6-7-21-18(13-20)4-8-23(28)26(21)15-22(27)24-14-19-5-3-17(2)31-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide?
N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide has a molecular weight of 457.55 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 46361580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).