4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

C22H19N3O2S2 — CID 24515822

IUPAC4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1cccs1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C22H19N3O2S2/c26-21(23-11-13-28-14-18-4-3-12-29-18)16-7-9-17(10-8-16)25-15-24-20-6-2-1-5-19(20)22(25)27/h1-10,12,15H,11,13-14H2,(H,23,26)
InChIKeyVLURVKUVHFJGST-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.11
Rot. Bonds7

About 4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide (PubChem CID 24515822) has the molecular formula C22H19N3O2S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
PubChem CID24515822
Molecular FormulaC22H19N3O2S2
Molecular Weight421.55 g/mol
Exact Mass421.09
IUPAC Name4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1cccs1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C22H19N3O2S2/c26-21(23-11-13-28-14-18-4-3-12-29-18)16-7-9-17(10-8-16)25-15-24-20-6-2-1-5-19(20)22(25)27/h1-10,12,15H,11,13-14H2,(H,23,26)
InChIKeyVLURVKUVHFJGST-UHFFFAOYSA-N
XLogP4.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 32987474
4-iodo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46684444
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 17408604
4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369967
4-(methylsulfamoyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 17443070
1-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide
CID 18086697
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24566961
N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
4-[(propan-2-ylcarbamoylamino)methyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 9472075
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide (CID 24515822) is 4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide is O=C(NCCSCc1cccs1)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The InChIKey is VLURVKUVHFJGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S2/c26-21(23-11-13-28-14-18-4-3-12-29-18)16-7-9-17(10-8-16)25-15-24-20-6-2-1-5-19(20)22(25)27/h1-10,12,15H,11,13-14H2,(H,23,26).
What are the key properties of 4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide has a molecular weight of 421.55 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 24515822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).