4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide

C25H33N3O5S — CID 42713471

IUPAC4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCC(c1nc2ccccc2c(=O)n1CCOC)N(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C25H33N3O5S/c1-6-23(24-26-22-10-8-7-9-21(22)25(29)27(24)15-16-32-4)28(17-18(2)3)34(30,31)20-13-11-19(33-5)12-14-20/h7-14,18,23H,6,15-17H2,1-5H3
InChIKeyXVSBBIDTMSLNOU-UHFFFAOYSA-N
MW487.62 g/mol
LogP3.85
Rot. Bonds11

About 4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide

4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 42713471) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is 4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID42713471
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Name4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCC(c1nc2ccccc2c(=O)n1CCOC)N(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C25H33N3O5S/c1-6-23(24-26-22-10-8-7-9-21(22)25(29)27(24)15-16-32-4)28(17-18(2)3)34(30,31)20-13-11-19(33-5)12-14-20/h7-14,18,23H,6,15-17H2,1-5H3
InChIKeyXVSBBIDTMSLNOU-UHFFFAOYSA-N
XLogP3.85
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)benzenesulfonamide
CID 42712027
4-bromo-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzenesulfonamide
CID 4013116
4-methoxy-N-(2-methylpropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
CID 42715475
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)naphthalene-2-sulfonamide
CID 5135506
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42713459
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 42716747
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(2-methylphenyl)urea
CID 42717550
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 7365393
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(3-methylphenyl)urea
CID 42717545
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 46116829

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide (CID 42713471) is 4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide is CCC(c1nc2ccccc2c(=O)n1CCOC)N(CC(C)C)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is XVSBBIDTMSLNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-6-23(24-26-22-10-8-7-9-21(22)25(29)27(24)15-16-32-4)28(17-18(2)3)34(30,31)20-13-11-19(33-5)12-14-20/h7-14,18,23H,6,15-17H2,1-5H3.
What are the key properties of 4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide?
4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 487.62 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 42713471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).