N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C22H24N2O3S — CID 32560697

IUPACN-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C1CCc2cc(OCC(=O)Nc3ccccc3SC3CCCC3)ccc2N1
InChIInChI=1S/C22H24N2O3S/c25-21-12-9-15-13-16(10-11-18(15)23-21)27-14-22(26)24-19-7-3-4-8-20(19)28-17-5-1-2-6-17/h3-4,7-8,10-11,13,17H,1-2,5-6,9,12,14H2,(H,23,25)(H,24,26)
InChIKeyVOHAPALUYORZBA-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.62
Rot. Bonds6

About N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 32560697) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID32560697
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C1CCc2cc(OCC(=O)Nc3ccccc3SC3CCCC3)ccc2N1
InChIInChI=1S/C22H24N2O3S/c25-21-12-9-15-13-16(10-11-18(15)23-21)27-14-22(26)24-19-7-3-4-8-20(19)28-17-5-1-2-6-17/h3-4,7-8,10-11,13,17H,1-2,5-6,9,12,14H2,(H,23,25)(H,24,26)
InChIKeyVOHAPALUYORZBA-UHFFFAOYSA-N
XLogP4.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]-N-propan-2-ylbenzamide
CID 55672954
N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 24670388
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
N-benzyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 24676625
N-(2-cyclopentylethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 39997989
N-cyclohexylsulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 154775488
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 78889333
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268
N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 55559193
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate
CID 47022018
N-[4-(2-methoxyethoxy)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55658148

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 32560697) is N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is O=C1CCc2cc(OCC(=O)Nc3ccccc3SC3CCCC3)ccc2N1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is VOHAPALUYORZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c25-21-12-9-15-13-16(10-11-18(15)23-21)27-14-22(26)24-19-7-3-4-8-20(19)28-17-5-1-2-6-17/h3-4,7-8,10-11,13,17H,1-2,5-6,9,12,14H2,(H,23,25)(H,24,26).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 396.51 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 32560697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).