2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine

C29H33N5O2S — CID 23632205

IUPAC2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(C)c3nc(Nc4ccc(C)cc4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C29H33N5O2S/c1-4-23-11-15-25(16-12-23)37(35,36)34-19-17-33(18-20-34)22(3)28-31-27-8-6-5-7-26(27)29(32-28)30-24-13-9-21(2)10-14-24/h5-16,22H,4,17-20H2,1-3H3,(H,30,31,32)
InChIKeyAOXSECODOMKJTD-UHFFFAOYSA-N
MW515.68 g/mol
LogP5.31
Rot. Bonds7

About 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine

2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine (PubChem CID 23632205) has the molecular formula C29H33N5O2S and a molecular weight of 515.68 g/mol. Its IUPAC name is 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
PubChem CID23632205
Molecular FormulaC29H33N5O2S
Molecular Weight515.68 g/mol
Exact Mass515.24
IUPAC Name2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(C)c3nc(Nc4ccc(C)cc4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C29H33N5O2S/c1-4-23-11-15-25(16-12-23)37(35,36)34-19-17-33(18-20-34)22(3)28-31-27-8-6-5-7-26(27)29(32-28)30-24-13-9-21(2)10-14-24/h5-16,22H,4,17-20H2,1-3H3,(H,30,31,32)
InChIKeyAOXSECODOMKJTD-UHFFFAOYSA-N
XLogP5.31
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine with MolForge

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Related Compounds

2-[(1S)-1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 98046905
2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 98046692
2-[(1S)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 92753551
N-(4-methylphenyl)-2-[1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 23632121
2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenylquinazolin-4-amine
CID 23632260
2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methoxyphenyl)quinazolin-4-amine
CID 23632209
2-[(1R)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenylquinazolin-4-amine
CID 92753550
N-(3-methoxyphenyl)-2-[(1R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 92753585
2-[(1S)-1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(2-methylphenyl)quinazolin-4-amine
CID 98046921
2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methylphenyl)quinazolin-4-amine
CID 23632156
N-cyclohexyl-2-[(1R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 97170106
N-(2-phenylethyl)-2-[(1R)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 98046882

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine?
The IUPAC name of 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine (CID 23632205) is 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine is CCc1ccc(S(=O)(=O)N2CCN(C(C)c3nc(Nc4ccc(C)cc4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine?
The InChIKey is AOXSECODOMKJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2S/c1-4-23-11-15-25(16-12-23)37(35,36)34-19-17-33(18-20-34)22(3)28-31-27-8-6-5-7-26(27)29(32-28)30-24-13-9-21(2)10-14-24/h5-16,22H,4,17-20H2,1-3H3,(H,30,31,32).
What are the key properties of 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine?
2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine has a molecular weight of 515.68 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 23632205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).