3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide

C24H22N4O3S — CID 55490415

IUPAC3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H22N4O3S/c25-21(29)12-13-28(15-17-7-2-1-3-8-17)22(30)16-32-24-18-9-4-5-10-19(18)26-23(27-24)20-11-6-14-31-20/h1-11,14H,12-13,15-16H2,(H2,25,29)
InChIKeyGTGWZFZXAJSRMD-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.89
Rot. Bonds9

About 3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide

3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide (PubChem CID 55490415) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide
PubChem CID55490415
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H22N4O3S/c25-21(29)12-13-28(15-17-7-2-1-3-8-17)22(30)16-32-24-18-9-4-5-10-19(18)26-23(27-24)20-11-6-14-31-20/h1-11,14H,12-13,15-16H2,(H2,25,29)
InChIKeyGTGWZFZXAJSRMD-UHFFFAOYSA-N
XLogP3.89
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 24585518
3-[benzyl-[2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide
CID 51287610
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 24585506
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 46687618
3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide
CID 41165036
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 17444327
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 24585507
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
CID 17444323
N,N-dibenzyl-2-[3-[2-(dibenzylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide
CID 3641810
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide
CID 17444347
3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide
CID 36609911

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide (CID 55490415) is 3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide is NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide?
The InChIKey is GTGWZFZXAJSRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c25-21(29)12-13-28(15-17-7-2-1-3-8-17)22(30)16-32-24-18-9-4-5-10-19(18)26-23(27-24)20-11-6-14-31-20/h1-11,14H,12-13,15-16H2,(H2,25,29).
What are the key properties of 3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide?
3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide has a molecular weight of 446.53 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide is sourced from PubChem (CID 55490415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).