N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

C20H17N3OS3 — CID 8949580

IUPACN-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2cccs2)nc2ccccc12)NCCc1cccs1
InChIInChI=1S/C20H17N3OS3/c24-18(21-10-9-14-5-3-11-25-14)13-27-20-15-6-1-2-7-16(15)22-19(23-20)17-8-4-12-26-17/h1-8,11-12H,9-10,13H2,(H,21,24)
InChIKeyJIGHXEURCBDRRX-UHFFFAOYSA-N
MW411.58 g/mol
LogP4.87
Rot. Bonds7

About N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (PubChem CID 8949580) has the molecular formula C20H17N3OS3 and a molecular weight of 411.58 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
PubChem CID8949580
Molecular FormulaC20H17N3OS3
Molecular Weight411.58 g/mol
Exact Mass411.05
IUPAC NameN-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2cccs2)nc2ccccc12)NCCc1cccs1
InChIInChI=1S/C20H17N3OS3/c24-18(21-10-9-14-5-3-11-25-14)13-27-20-15-6-1-2-7-16(15)22-19(23-20)17-8-4-12-26-17/h1-8,11-12H,9-10,13H2,(H,21,24)
InChIKeyJIGHXEURCBDRRX-UHFFFAOYSA-N
XLogP4.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylquinazolin-4-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7627761
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 16592616
N-(propylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606684
N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7300327
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16507539
N-(2-ethylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606772
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 41099497
N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606818
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16507503
N-(2-thiophen-2-ylethyl)-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-4-carboxamide
CID 133277456
2-(2-benzylquinazolin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1442547
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 40517895

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (CID 8949580) is N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is O=C(CSc1nc(-c2cccs2)nc2ccccc12)NCCc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is JIGHXEURCBDRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS3/c24-18(21-10-9-14-5-3-11-25-14)13-27-20-15-6-1-2-7-16(15)22-19(23-20)17-8-4-12-26-17/h1-8,11-12H,9-10,13H2,(H,21,24).
What are the key properties of N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 411.58 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 8949580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).