4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide

C17H14N4O2S — CID 2409976

IUPAC4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H14N4O2S/c18-16(23)11-5-7-12(8-6-11)21-15(22)9-24-17-13-3-1-2-4-14(13)19-10-20-17/h1-8,10H,9H2,(H2,18,23)(H,21,22)
InChIKeyCHZPFVZXNKEBTN-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.46
Rot. Bonds5

About 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide

4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide (PubChem CID 2409976) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
PubChem CID2409976
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H14N4O2S/c18-16(23)11-5-7-12(8-6-11)21-15(22)9-24-17-13-3-1-2-4-14(13)19-10-20-17/h1-8,10H,9H2,(H2,18,23)(H,21,22)
InChIKeyCHZPFVZXNKEBTN-UHFFFAOYSA-N
XLogP2.46
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-[4-(cyanomethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 8939437
N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362322
N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2652585
N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 3518128
N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412906
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323347
4-[[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 2417850
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 4187636
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
CID 2595063
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151

Frequently Asked Questions

What is the IUPAC name of 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide?
The IUPAC name of 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide (CID 2409976) is 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide?
The canonical SMILES for 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide is NC(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide?
The InChIKey is CHZPFVZXNKEBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c18-16(23)11-5-7-12(8-6-11)21-15(22)9-24-17-13-3-1-2-4-14(13)19-10-20-17/h1-8,10H,9H2,(H2,18,23)(H,21,22).
What are the key properties of 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide?
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide has a molecular weight of 338.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 2409976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).