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

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

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Related Compounds

N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2933833
2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 1091839
N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide
CID 162670614
2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine
CID 51030551
N-(3-morpholin-4-ylsulfonylphenyl)-5-phenyl-2-pyrimidin-5-ylquinazolin-4-amine
CID 68204939
2-(4-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine
CID 1187531
2-(2-tert-Butyl-quinazolin-4-ylsulfanyl)-N-(4-morpholin-4-yl-phenyl)-acetamide
CID 1442464
N-(4-Morpholin-4-yl-phenyl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442655
N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide
CID 3232925
N-[2-[[2-[3-(methanesulfonamido)phenyl]quinazolin-4-yl]amino]ethyl]acetamide
CID 3235368
N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 5198374
6-Morpholin-4-ylsulfonylquinazoline-2,4-diamine;hydrochloride
CID 45489013

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).