N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide

C20H25N3O3S — CID 17429775

IUPACN-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
SMILESO=c1c2ccccc2ncn1CCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N3O3S/c24-19-17-3-1-2-4-18(17)21-13-23(19)5-6-27(25,26)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,13-16,22H,5-12H2
InChIKeyMVHMLROIZSGSSL-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.28
Rot. Bonds5

About N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide

N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide (PubChem CID 17429775) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
PubChem CID17429775
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
SMILESO=c1c2ccccc2ncn1CCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N3O3S/c24-19-17-3-1-2-4-18(17)21-13-23(19)5-6-27(25,26)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,13-16,22H,5-12H2
InChIKeyMVHMLROIZSGSSL-UHFFFAOYSA-N
XLogP2.28
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide
CID 7742280
N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
CID 17417988
3-[2-(2-methylsulfonylethylamino)ethyl]quinazolin-4-one
CID 62562144
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
3-[[(1R)-2,2-dichlorocyclopropyl]methyl]quinazolin-4-one
CID 9138172
3-[3-(benzenesulfonyl)propyl]quinazolin-4-one
CID 47066485
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-(oxiran-2-ylmethyl)quinazolin-4-one
CID 12905622
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-[3-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]-3-oxopropyl]quinazolin-4-one
CID 129373882

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
The IUPAC name of N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide (CID 17429775) is N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide is O=c1c2ccccc2ncn1CCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
The InChIKey is MVHMLROIZSGSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-19-17-3-1-2-4-18(17)21-13-23(19)5-6-27(25,26)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,13-16,22H,5-12H2.
What are the key properties of N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide is sourced from PubChem (CID 17429775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).