N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide

C26H25N5O4S — CID 10141912

IUPACN-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)nc(N3CCOCC3)c2c1
InChIInChI=1S/C26H25N5O4S/c1-18(32)27-20-10-11-24-23(17-20)26(31-12-14-35-15-13-31)29-25(28-24)19-6-5-7-21(16-19)30-36(33,34)22-8-3-2-4-9-22/h2-11,16-17,30H,12-15H2,1H3,(H,27,32)
InChIKeyAPSUSKFJHUBJPP-UHFFFAOYSA-N
MW503.58 g/mol
LogP3.89
Rot. Bonds6

About N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide

N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide (PubChem CID 10141912) has the molecular formula C26H25N5O4S and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide
PubChem CID10141912
Molecular FormulaC26H25N5O4S
Molecular Weight503.58 g/mol
Exact Mass503.16
IUPAC NameN-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)nc(N3CCOCC3)c2c1
InChIInChI=1S/C26H25N5O4S/c1-18(32)27-20-10-11-24-23(17-20)26(31-12-14-35-15-13-31)29-25(28-24)19-6-5-7-21(16-19)30-36(33,34)22-8-3-2-4-9-22/h2-11,16-17,30H,12-15H2,1H3,(H,27,32)
InChIKeyAPSUSKFJHUBJPP-UHFFFAOYSA-N
XLogP3.89
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide?
The IUPAC name of N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide (CID 10141912) is N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide.
What is the SMILES notation for N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide?
The canonical SMILES for N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)nc(N3CCOCC3)c2c1.
What is the InChIKey of N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide?
The InChIKey is APSUSKFJHUBJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4S/c1-18(32)27-20-10-11-24-23(17-20)26(31-12-14-35-15-13-31)29-25(28-24)19-6-5-7-21(16-19)30-36(33,34)22-8-3-2-4-9-22/h2-11,16-17,30H,12-15H2,1H3,(H,27,32).
What are the key properties of N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide?
N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide has a molecular weight of 503.58 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(benzenesulfonamido)phenyl]-4-morpholin-4-ylquinazolin-6-yl]acetamide is sourced from PubChem (CID 10141912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).