N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide

C20H19N3O4S — CID 51552903

IUPACN-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
SMILESCOc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-16-9-7-15(8-10-16)22-18(24)12-28(26)13-19(25)23-17-6-2-4-14-5-3-11-21-20(14)17/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25)/t28-/m1/s1
InChIKeyDGVGDRTZCJMNRK-MUUNZHRXSA-N
MW397.46 g/mol
LogP2.57
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide

N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide (PubChem CID 51552903) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
PubChem CID51552903
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
SMILESCOc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-16-9-7-15(8-10-16)22-18(24)12-28(26)13-19(25)23-17-6-2-4-14-5-3-11-21-20(14)17/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25)/t28-/m1/s1
InChIKeyDGVGDRTZCJMNRK-MUUNZHRXSA-N
XLogP2.57
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51552612
N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide
CID 1462946
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetic acid
CID 854402
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
2-N-(4-methoxyphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109093095
2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
CID 139200312
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide (CID 51552903) is N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide is COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide?
The InChIKey is DGVGDRTZCJMNRK-MUUNZHRXSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-16-9-7-15(8-10-16)22-18(24)12-28(26)13-19(25)23-17-6-2-4-14-5-3-11-21-20(14)17/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25)/t28-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide?
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide is sourced from PubChem (CID 51552903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).