(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide

C20H23N3O2S2 — CID 8727252

IUPAC(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC[C@H](C)n1c(S[C@H](C)C(=O)NCc2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C20H23N3O2S2/c1-4-13(2)23-19(25)16-9-5-6-10-17(16)22-20(23)27-14(3)18(24)21-12-15-8-7-11-26-15/h5-11,13-14H,4,12H2,1-3H3,(H,21,24)/t13-,14+/m0/s1
InChIKeyCZHBENBPDTVDTQ-UONOGXRCSA-N
MW401.56 g/mol
LogP4.23
Rot. Bonds7

About (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide

(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 8727252) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID8727252
Molecular FormulaC20H23N3O2S2
Molecular Weight401.56 g/mol
Exact Mass401.12
IUPAC Name(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC[C@H](C)n1c(S[C@H](C)C(=O)NCc2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C20H23N3O2S2/c1-4-13(2)23-19(25)16-9-5-6-10-17(16)22-20(23)27-14(3)18(24)21-12-15-8-7-11-26-15/h5-11,13-14H,4,12H2,1-3H3,(H,21,24)/t13-,14+/m0/s1
InChIKeyCZHBENBPDTVDTQ-UONOGXRCSA-N
XLogP4.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide with MolForge

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Related Compounds

(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 2639801
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 2529276
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 4815367
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
CID 40681888
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8727328
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 75834916
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 30238346
(2S)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide
CID 2529412
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide
CID 8727316
(2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 92503455
(2S)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 8727091
(2S)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide
CID 8726960

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide (CID 8727252) is (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide is CC[C@H](C)n1c(S[C@H](C)C(=O)NCc2cccs2)nc2ccccc2c1=O.
What is the InChIKey of (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is CZHBENBPDTVDTQ-UONOGXRCSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-4-13(2)23-19(25)16-9-5-6-10-17(16)22-20(23)27-14(3)18(24)21-12-15-8-7-11-26-15/h5-11,13-14H,4,12H2,1-3H3,(H,21,24)/t13-,14+/m0/s1.
What are the key properties of (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 401.56 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 8727252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).