N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide

C25H30N6O3S — CID 2933833

IUPACN-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(NC4CCCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C25H30N6O3S/c1-18(32)26-20-10-12-21(13-11-20)35(33,34)31-16-14-30(15-17-31)25-28-23-9-5-4-8-22(23)24(29-25)27-19-6-2-3-7-19/h4-5,8-13,19H,2-3,6-7,14-17H2,1H3,(H,26,32)(H,27,28,29)
InChIKeyXFQBUESMWRQAJG-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.45
Rot. Bonds6

About N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 2933833) has the molecular formula C25H30N6O3S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID2933833
Molecular FormulaC25H30N6O3S
Molecular Weight494.62 g/mol
Exact Mass494.21
IUPAC NameN-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(NC4CCCC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C25H30N6O3S/c1-18(32)26-20-10-12-21(13-11-20)35(33,34)31-16-14-30(15-17-31)25-28-23-9-5-4-8-22(23)24(29-25)27-19-6-2-3-7-19/h4-5,8-13,19H,2-3,6-7,14-17H2,1H3,(H,26,32)(H,27,28,29)
InChIKeyXFQBUESMWRQAJG-UHFFFAOYSA-N
XLogP3.45
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide (CID 2933833) is N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(NC4CCCC4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is XFQBUESMWRQAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3S/c1-18(32)26-20-10-12-21(13-11-20)35(33,34)31-16-14-30(15-17-31)25-28-23-9-5-4-8-22(23)24(29-25)27-19-6-2-3-7-19/h4-5,8-13,19H,2-3,6-7,14-17H2,1H3,(H,26,32)(H,27,28,29).
What are the key properties of N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 494.62 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2933833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).