N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide

C24H21N3O4S — CID 24585506

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H21N3O4S/c1-2-27(13-16-9-10-19-21(12-16)31-15-30-19)22(28)14-32-24-17-6-3-4-7-18(17)25-23(26-24)20-8-5-11-29-20/h3-12H,2,13-15H2,1H3
InChIKeyQQDLNHRXQYSXQU-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.76
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 24585506) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
PubChem CID24585506
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H21N3O4S/c1-2-27(13-16-9-10-19-21(12-16)31-15-30-19)22(28)14-32-24-17-6-3-4-7-18(17)25-23(26-24)20-8-5-11-29-20/h3-12H,2,13-15H2,1H3
InChIKeyQQDLNHRXQYSXQU-UHFFFAOYSA-N
XLogP4.76
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide
CID 55490415
N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 24585518
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9202279
N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylacetamide
CID 8806585
2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573207
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 17444327
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethylquinazolin-4-yl)sulfanylacetamide
CID 1435027
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 78801443
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24573502
N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679197

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide (CID 24585506) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is QQDLNHRXQYSXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-2-27(13-16-9-10-19-21(12-16)31-15-30-19)22(28)14-32-24-17-6-3-4-7-18(17)25-23(26-24)20-8-5-11-29-20/h3-12H,2,13-15H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 447.52 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 24585506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).