N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide

C21H20N2O2S — CID 7755371

IUPACN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H20N2O2S/c1-15(24)19(13-16-7-3-2-4-8-16)22-20(25)14-26-21-12-11-17-9-5-6-10-18(17)23-21/h2-12,19H,13-14H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyVFIIZFBSPODKGO-IBGZPJMESA-N
MW364.47 g/mol
LogP3.64
Rot. Bonds7

About N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide

N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 7755371) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide
PubChem CID7755371
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H20N2O2S/c1-15(24)19(13-16-7-3-2-4-8-16)22-20(25)14-26-21-12-11-17-9-5-6-10-18(17)23-21/h2-12,19H,13-14H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyVFIIZFBSPODKGO-IBGZPJMESA-N
XLogP3.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8707512
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide
CID 9325470
methyl (2S)-2-phenyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]acetate
CID 7306493
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9046433
2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 41001240
methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate
CID 18275432
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 42984842
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide
CID 40795360
benzyl 2-quinolin-2-ylsulfanylacetate
CID 27240915
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680672

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide (CID 7755371) is N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide is CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is VFIIZFBSPODKGO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-15(24)19(13-16-7-3-2-4-8-16)22-20(25)14-26-21-12-11-17-9-5-6-10-18(17)23-21/h2-12,19H,13-14H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide?
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 364.47 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 7755371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).