2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C19H21N3O2S2 — CID 9329683

IUPAC2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCCCn1c(SCC(=O)N[C@H](C)c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N3O2S2/c1-3-10-22-18(24)14-7-4-5-8-15(14)21-19(22)26-12-17(23)20-13(2)16-9-6-11-25-16/h4-9,11,13H,3,10,12H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyNOIJNPACTHUZLV-CYBMUJFWSA-N
MW387.53 g/mol
LogP3.84
Rot. Bonds7

About 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 9329683) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID9329683
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCCCn1c(SCC(=O)N[C@H](C)c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N3O2S2/c1-3-10-22-18(24)14-7-4-5-8-15(14)21-19(22)26-12-17(23)20-13(2)16-9-6-11-25-16/h4-9,11,13H,3,10,12H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyNOIJNPACTHUZLV-CYBMUJFWSA-N
XLogP3.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 16510330
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 16537789
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 16510952
N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 16535578
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46824508
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329684
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-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 16531370
N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7856748
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7856953
2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 112783675

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 9329683) is 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide is CCCn1c(SCC(=O)N[C@H](C)c2cccs2)nc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is NOIJNPACTHUZLV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-3-10-22-18(24)14-7-4-5-8-15(14)21-19(22)26-12-17(23)20-13(2)16-9-6-11-25-16/h4-9,11,13H,3,10,12H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 387.53 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 9329683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).