N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

C19H21N3OS2 — CID 7300327

IUPACN-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCC(C)[C@@H](C)NC(=O)CSc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H21N3OS2/c1-12(2)13(3)20-17(23)11-25-19-14-7-4-5-8-15(14)21-18(22-19)16-9-6-10-24-16/h4-10,12-13H,11H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyPUFSSEWJDYGGOP-CYBMUJFWSA-N
MW371.53 g/mol
LogP4.61
Rot. Bonds6

About N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7300327) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
PubChem CID7300327
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCC(C)[C@@H](C)NC(=O)CSc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H21N3OS2/c1-12(2)13(3)20-17(23)11-25-19-14-7-4-5-8-15(14)21-18(22-19)16-9-6-10-24-16/h4-10,12-13H,11H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyPUFSSEWJDYGGOP-CYBMUJFWSA-N
XLogP4.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2-ethylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606772
N-(propylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606684
N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 8949580
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16507503
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16507539
N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 16507527
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone
CID 4786666
1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7606641
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 16592616
(2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 7606681

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (CID 7300327) is N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is CC(C)[C@@H](C)NC(=O)CSc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is PUFSSEWJDYGGOP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-12(2)13(3)20-17(23)11-25-19-14-7-4-5-8-15(14)21-18(22-19)16-9-6-10-24-16/h4-10,12-13H,11H2,1-3H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 371.53 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7300327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).