N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide

C27H37N3O4S — CID 42716747

IUPACN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCOCCn1c(C(C)N(CCC(C)C)S(=O)(=O)c2c(C)cc(C)cc2C)nc2ccccc2c1=O
InChIInChI=1S/C27H37N3O4S/c1-18(2)12-13-30(35(32,33)25-20(4)16-19(3)17-21(25)5)22(6)26-28-24-11-9-8-10-23(24)27(31)29(26)14-15-34-7/h8-11,16-18,22H,12-15H2,1-7H3
InChIKeyHGDZSYFUVWERFO-UHFFFAOYSA-N
MW499.68 g/mol
LogP4.77
Rot. Bonds10

About N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide

N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 42716747) has the molecular formula C27H37N3O4S and a molecular weight of 499.68 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID42716747
Molecular FormulaC27H37N3O4S
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC NameN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCOCCn1c(C(C)N(CCC(C)C)S(=O)(=O)c2c(C)cc(C)cc2C)nc2ccccc2c1=O
InChIInChI=1S/C27H37N3O4S/c1-18(2)12-13-30(35(32,33)25-20(4)16-19(3)17-21(25)5)22(6)26-28-24-11-9-8-10-23(24)27(31)29(26)14-15-34-7/h8-11,16-18,22H,12-15H2,1-7H3
InChIKeyHGDZSYFUVWERFO-UHFFFAOYSA-N
XLogP4.77
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide with MolForge

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Related Compounds

N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)naphthalene-2-sulfonamide
CID 5135506
4-bromo-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzenesulfonamide
CID 4013116
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)pentanamide
CID 42716734
4-methoxy-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzenesulfonamide
CID 42713471
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(2-methylphenyl)urea
CID 42717550
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(3-methylphenyl)urea
CID 42717545
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
CID 42713179
3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 7365393
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42713207
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 42713779

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide (CID 42716747) is N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide is COCCn1c(C(C)N(CCC(C)C)S(=O)(=O)c2c(C)cc(C)cc2C)nc2ccccc2c1=O.
What is the InChIKey of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is HGDZSYFUVWERFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4S/c1-18(2)12-13-30(35(32,33)25-20(4)16-19(3)17-21(25)5)22(6)26-28-24-11-9-8-10-23(24)27(31)29(26)14-15-34-7/h8-11,16-18,22H,12-15H2,1-7H3.
What are the key properties of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide?
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 499.68 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2,4,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 42716747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).