N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide

C23H25ClN4O4S — CID 53490923

IUPACN-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C23H25ClN4O4S/c1-16-6-4-5-11-28(16)33(31,32)19-9-10-21-18(12-19)14-26-23(30)27(21)15-22(29)25-13-17-7-2-3-8-20(17)24/h2-3,7-10,12,14,16H,4-6,11,13,15H2,1H3,(H,25,29)
InChIKeyJVCBUOKTXVCXMO-UHFFFAOYSA-N
MW489.00 g/mol
LogP2.93
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide (PubChem CID 53490923) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide
PubChem CID53490923
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C23H25ClN4O4S/c1-16-6-4-5-11-28(16)33(31,32)19-9-10-21-18(12-19)14-26-23(30)27(21)15-22(29)25-13-17-7-2-3-8-20(17)24/h2-3,7-10,12,14,16H,4-6,11,13,15H2,1H3,(H,25,29)
InChIKeyJVCBUOKTXVCXMO-UHFFFAOYSA-N
XLogP2.93
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide
CID 95561752
N-[2-(cyclohexen-1-yl)ethyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide
CID 95561762
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-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562457
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35293436
N-[(2-chlorophenyl)methyl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3993771
N-[(2-chlorophenyl)methyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374108
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55395914
N-[(2-chlorophenyl)methyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394275

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide (CID 53490923) is N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide is CC1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is JVCBUOKTXVCXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-16-6-4-5-11-28(16)33(31,32)19-9-10-21-18(12-19)14-26-23(30)27(21)15-22(29)25-13-17-7-2-3-8-20(17)24/h2-3,7-10,12,14,16H,4-6,11,13,15H2,1H3,(H,25,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 489.00 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 53490923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).