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

C24H32N4O4S — CID 95561762

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C24H32N4O4S/c1-18-7-5-6-14-28(18)33(31,32)21-10-11-22-20(15-21)16-26-24(30)27(22)17-23(29)25-13-12-19-8-3-2-4-9-19/h8,10-11,15-16,18H,2-7,9,12-14,17H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyUMKALXXPPZNNJF-SFHVURJKSA-N
MW472.61 g/mol
LogP2.97
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide (PubChem CID 95561762) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide
PubChem CID95561762
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C24H32N4O4S/c1-18-7-5-6-14-28(18)33(31,32)21-10-11-22-20(15-21)16-26-24(30)27(22)17-23(29)25-13-12-19-8-3-2-4-9-19/h8,10-11,15-16,18H,2-7,9,12-14,17H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyUMKALXXPPZNNJF-SFHVURJKSA-N
XLogP2.97
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide
CID 95561752
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
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16801888
(2S)-1-(4-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-2-carboxamide
CID 92887732
N'-[2-(cyclohexen-1-yl)ethyl]-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194488
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
CID 50767660
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859102
N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100814362
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684654

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide (CID 95561762) is N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide is C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is UMKALXXPPZNNJF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-18-7-5-6-14-28(18)33(31,32)21-10-11-22-20(15-21)16-26-24(30)27(22)17-23(29)25-13-12-19-8-3-2-4-9-19/h8,10-11,15-16,18H,2-7,9,12-14,17H2,1H3,(H,25,29)/t18-/m0/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 472.61 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 95561762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).