N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C18H25N3O2S — CID 7856748

IUPACN-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCCCn1c(SCC(=O)N[C@H](C)CC)nc2ccccc2c1=O
InChIInChI=1S/C18H25N3O2S/c1-4-6-11-21-17(23)14-9-7-8-10-15(14)20-18(21)24-12-16(22)19-13(3)5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyBMUKKPPHODUMFE-CYBMUJFWSA-N
MW347.48 g/mol
LogP3.20
Rot. Bonds8

About N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 7856748) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID7856748
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCCCn1c(SCC(=O)N[C@H](C)CC)nc2ccccc2c1=O
InChIInChI=1S/C18H25N3O2S/c1-4-6-11-21-17(23)14-9-7-8-10-15(14)20-18(21)24-12-16(22)19-13(3)5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyBMUKKPPHODUMFE-CYBMUJFWSA-N
XLogP3.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-2-[3-[2-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 98274736
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
N-butan-2-yl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4813765
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 2696216
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7856734
2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 40727739
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7856953
N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
CID 7856771
N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 51392839
N-butan-2-yl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5211162
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 2608241

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 7856748) is N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide is CCCCn1c(SCC(=O)N[C@H](C)CC)nc2ccccc2c1=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is BMUKKPPHODUMFE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-6-11-21-17(23)14-9-7-8-10-15(14)20-18(21)24-12-16(22)19-13(3)5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 347.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7856748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).