N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide

C24H28N4O4S — CID 53490927

IUPACN-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCCC4C)ccc32)cc1
InChIInChI=1S/C24H28N4O4S/c1-3-18-7-9-20(10-8-18)26-23(29)16-27-22-12-11-21(14-19(22)15-25-24(27)30)33(31,32)28-13-5-4-6-17(28)2/h7-12,14-15,17H,3-6,13,16H2,1-2H3,(H,26,29)
InChIKeyQXNFKELGDVLQTN-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.16
Rot. Bonds6

About N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide

N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide (PubChem CID 53490927) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide
PubChem CID53490927
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCCC4C)ccc32)cc1
InChIInChI=1S/C24H28N4O4S/c1-3-18-7-9-20(10-8-18)26-23(29)16-27-22-12-11-21(14-19(22)15-25-24(27)30)33(31,32)28-13-5-4-6-17(28)2/h7-12,14-15,17H,3-6,13,16H2,1-2H3,(H,26,29)
InChIKeyQXNFKELGDVLQTN-UHFFFAOYSA-N
XLogP3.16
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.16
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-[(2-chlorophenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide
CID 53490923
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-(4-ethylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27525385
2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 93059004
1-(4-ethylphenyl)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]iminopyridazine-3-carboxamide
CID 124769258
N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16836945
2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 27012752

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide (CID 53490927) is N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide is CCc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCCC4C)ccc32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is QXNFKELGDVLQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-3-18-7-9-20(10-8-18)26-23(29)16-27-22-12-11-21(14-19(22)15-25-24(27)30)33(31,32)28-13-5-4-6-17(28)2/h7-12,14-15,17H,3-6,13,16H2,1-2H3,(H,26,29).
What are the key properties of N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide?
N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 53490927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).