N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide

C34H34FN5O3S — CID 10416322

IUPACN-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide
SMILESO=C(CC1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1)NCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C34H34FN5O3S/c35-26-15-19-29(20-16-26)44(42,43)38-27-17-13-25(14-18-27)24-36-33(41)23-32-30-11-5-6-12-31(30)37-34(39-21-7-2-8-22-39)40(32)28-9-3-1-4-10-28/h1,3-6,9-20,32,38H,2,7-8,21-24H2,(H,36,41)
InChIKeyRMQZAKOLGVUVAD-UHFFFAOYSA-N
MW611.74 g/mol
LogP6.37
Rot. Bonds8

About N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide

N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide (PubChem CID 10416322) has the molecular formula C34H34FN5O3S and a molecular weight of 611.74 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide
PubChem CID10416322
Molecular FormulaC34H34FN5O3S
Molecular Weight611.74 g/mol
Exact Mass611.24
IUPAC NameN-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide
SMILESO=C(CC1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1)NCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C34H34FN5O3S/c35-26-15-19-29(20-16-26)44(42,43)38-27-17-13-25(14-18-27)24-36-33(41)23-32-30-11-5-6-12-31(30)37-34(39-21-7-2-8-22-39)40(32)28-9-3-1-4-10-28/h1,3-6,9-20,32,38H,2,7-8,21-24H2,(H,36,41)
InChIKeyRMQZAKOLGVUVAD-UHFFFAOYSA-N
XLogP6.37
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide (CID 10416322) is N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide is O=C(CC1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1)NCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide?
The InChIKey is RMQZAKOLGVUVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN5O3S/c35-26-15-19-29(20-16-26)44(42,43)38-27-17-13-25(14-18-27)24-36-33(41)23-32-30-11-5-6-12-31(30)37-34(39-21-7-2-8-22-39)40(32)28-9-3-1-4-10-28/h1,3-6,9-20,32,38H,2,7-8,21-24H2,(H,36,41).
What are the key properties of N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide?
N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide has a molecular weight of 611.74 g/mol, XLogP of 6.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide is sourced from PubChem (CID 10416322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).