N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide

C24H28N4O4S — CID 2964209

IUPACN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C24H28N4O4S/c1-17-6-5-7-18(2)28(17)33(31,32)20-12-10-19(11-13-20)26-23(29)14-15-27-16-25-22-9-4-3-8-21(22)24(27)30/h3-4,8-13,16-18H,5-7,14-15H2,1-2H3,(H,26,29)
InChIKeyMAPGULUJVXKINW-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.38
Rot. Bonds6

About N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 2964209) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID2964209
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C24H28N4O4S/c1-17-6-5-7-18(2)28(17)33(31,32)20-12-10-19(11-13-20)26-23(29)14-15-27-16-25-22-9-4-3-8-21(22)24(27)30/h3-4,8-13,16-18H,5-7,14-15H2,1-2H3,(H,26,29)
InChIKeyMAPGULUJVXKINW-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 2964209) is N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide is CC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is MAPGULUJVXKINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17-6-5-7-18(2)28(17)33(31,32)20-12-10-19(11-13-20)26-23(29)14-15-27-16-25-22-9-4-3-8-21(22)24(27)30/h3-4,8-13,16-18H,5-7,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 468.58 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 2964209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).