N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C26H33N5O4S — CID 135893038

IUPACN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C26H33N5O4S/c1-3-31(4-2)36(34,35)19-12-13-23(30-16-8-5-9-17-30)22(18-19)28-25(32)15-14-24-27-21-11-7-6-10-20(21)26(33)29-24/h6-7,10-13,18H,3-5,8-9,14-17H2,1-2H3,(H,28,32)(H,27,29,33)
InChIKeySLESVZGATNMMBZ-UHFFFAOYSA-N
MW511.65 g/mol
LogP3.52
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135893038) has the molecular formula C26H33N5O4S and a molecular weight of 511.65 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135893038
Molecular FormulaC26H33N5O4S
Molecular Weight511.65 g/mol
Exact Mass511.23
IUPAC NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C26H33N5O4S/c1-3-31(4-2)36(34,35)19-12-13-23(30-16-8-5-9-17-30)22(18-19)28-25(32)15-14-24-27-21-11-7-6-10-20(21)26(33)29-24/h6-7,10-13,18H,3-5,8-9,14-17H2,1-2H3,(H,28,32)(H,27,29,33)
InChIKeySLESVZGATNMMBZ-UHFFFAOYSA-N
XLogP3.52
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.65
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43054838
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5073082
(4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 135901470
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55390515
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-1-benzothiophene-2-carboxamide
CID 16561052
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
CID 26880925
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767542
N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735198

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135893038) is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is SLESVZGATNMMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4S/c1-3-31(4-2)36(34,35)19-12-13-23(30-16-8-5-9-17-30)22(18-19)28-25(32)15-14-24-27-21-11-7-6-10-20(21)26(33)29-24/h6-7,10-13,18H,3-5,8-9,14-17H2,1-2H3,(H,28,32)(H,27,29,33).
What are the key properties of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 511.65 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135893038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).