2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C22H19N3OS2 — CID 1442547

IUPAC2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(Cc2ccccc2)nc2ccccc12)NCc1cccs1
InChIInChI=1S/C22H19N3OS2/c26-21(23-14-17-9-6-12-27-17)15-28-22-18-10-4-5-11-19(18)24-20(25-22)13-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,23,26)
InChIKeyYKHBACBQWFAPBQ-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.69
Rot. Bonds7

About 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1442547) has the molecular formula C22H19N3OS2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1442547
Molecular FormulaC22H19N3OS2
Molecular Weight405.55 g/mol
Exact Mass405.10
IUPAC Name2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(Cc2ccccc2)nc2ccccc12)NCc1cccs1
InChIInChI=1S/C22H19N3OS2/c26-21(23-14-17-9-6-12-27-17)15-28-22-18-10-4-5-11-19(18)24-20(25-22)13-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,23,26)
InChIKeyYKHBACBQWFAPBQ-UHFFFAOYSA-N
XLogP4.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylquinazolin-4-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7627761
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 42414904
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 5110121
N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 8949580
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2707127
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 9329551
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5177686
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 3612919
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
2-[2-(2-phenylethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17031686
2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 41242161

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 1442547) is 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)NCc1cccs1.
What is the InChIKey of 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YKHBACBQWFAPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS2/c26-21(23-14-17-9-6-12-27-17)15-28-22-18-10-4-5-11-19(18)24-20(25-22)13-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,23,26).
What are the key properties of 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 405.55 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1442547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).