6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide

C22H26N4O5S — CID 78328371

IUPAC6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCCCCN2C(=O)N=C3C=CC=CC3C2=O)cc1
InChIInChI=1S/C22H26N4O5S/c23-32(30,31)17-11-9-16(10-12-17)13-14-24-20(27)8-2-1-5-15-26-21(28)18-6-3-4-7-19(18)25-22(26)29/h3-4,6-7,9-12,18H,1-2,5,8,13-15H2,(H,24,27)(H2,23,30,31)
InChIKeyKWHJFGDVFKYMEE-UHFFFAOYSA-N
MW458.54 g/mol
LogP1.70
Rot. Bonds10

About 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide

6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide (PubChem CID 78328371) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide.

Molecular Properties

Compound Name6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide
PubChem CID78328371
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCCCCN2C(=O)N=C3C=CC=CC3C2=O)cc1
InChIInChI=1S/C22H26N4O5S/c23-32(30,31)17-11-9-16(10-12-17)13-14-24-20(27)8-2-1-5-15-26-21(28)18-6-3-4-7-19(18)25-22(26)29/h3-4,6-7,9-12,18H,1-2,5,8,13-15H2,(H,24,27)(H2,23,30,31)
InChIKeyKWHJFGDVFKYMEE-UHFFFAOYSA-N
XLogP1.70
TPSA139.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide with MolForge

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Related Compounds

N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide
CID 78341563
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide
CID 78328368
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide
CID 78328124
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 78328408
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2078489
methyl 3-(2,4-dioxo-4aH-quinazolin-3-yl)propanoate
CID 73255473
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
N-[3-(2,4-dioxo-4aH-quinazolin-3-yl)propyl]-N-[4-[3-(2,4-dioxo-4aH-quinazolin-3-yl)propylamino]butyl]acetamide
CID 74957923
4-(diaminomethylideneamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 118707446
3-(2-chloroethyl)-4aH-quinazoline-2,4-dione
CID 71650918
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide?
The IUPAC name of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide (CID 78328371) is 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide.
What is the SMILES notation for 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide?
The canonical SMILES for 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCCCCN2C(=O)N=C3C=CC=CC3C2=O)cc1.
What is the InChIKey of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide?
The InChIKey is KWHJFGDVFKYMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c23-32(30,31)17-11-9-16(10-12-17)13-14-24-20(27)8-2-1-5-15-26-21(28)18-6-3-4-7-19(18)25-22(26)29/h3-4,6-7,9-12,18H,1-2,5,8,13-15H2,(H,24,27)(H2,23,30,31).
What are the key properties of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide?
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide has a molecular weight of 458.54 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide is sourced from PubChem (CID 78328371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).