N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide

C19H26N4O5S — CID 95561752

IUPACN-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc21
InChIInChI=1S/C19H26N4O5S/c1-14-5-3-4-9-23(14)29(26,27)16-6-7-17-15(11-16)12-21-19(25)22(17)13-18(24)20-8-10-28-2/h6-7,11-12,14H,3-5,8-10,13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyZZOSTAGILLYESN-AWEZNQCLSA-N
MW422.51 g/mol
LogP0.72
Rot. Bonds7

About N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide

N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide (PubChem CID 95561752) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide
PubChem CID95561752
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC NameN-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc21
InChIInChI=1S/C19H26N4O5S/c1-14-5-3-4-9-23(14)29(26,27)16-6-7-17-15(11-16)12-21-19(25)22(17)13-18(24)20-8-10-28-2/h6-7,11-12,14H,3-5,8-10,13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyZZOSTAGILLYESN-AWEZNQCLSA-N
XLogP0.72
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide
CID 95561762
N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide
CID 53490923
N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide
CID 53490927
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinazolin-2-one
CID 124770684
ethyl (3R)-1-[2-[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetyl]piperidine-3-carboxylate
CID 124770874
1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309158
methyl 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051836
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143
N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100814362
N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide
CID 22578618
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 3590658

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide (CID 95561752) is N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide is COCCNC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is ZZOSTAGILLYESN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-14-5-3-4-9-23(14)29(26,27)16-6-7-17-15(11-16)12-21-19(25)22(17)13-18(24)20-8-10-28-2/h6-7,11-12,14H,3-5,8-10,13H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 422.51 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 95561752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).