(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

C20H24N4O2S — CID 25491438

IUPAC(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C20H24N4O2S/c1-12(2)20(4,11-21)23-17(25)13(3)27-19-22-16-8-6-5-7-15(16)18(26)24(19)14-9-10-14/h5-8,12-14H,9-10H2,1-4H3,(H,23,25)/t13-,20-/m1/s1
InChIKeyTZJCQLUFFQTYDV-ZUOKHONESA-N
MW384.51 g/mol
LogP3.27
Rot. Bonds6

About (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (PubChem CID 25491438) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
PubChem CID25491438
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C20H24N4O2S/c1-12(2)20(4,11-21)23-17(25)13(3)27-19-22-16-8-6-5-7-15(16)18(26)24(19)14-9-10-14/h5-8,12-14H,9-10H2,1-4H3,(H,23,25)/t13-,20-/m1/s1
InChIKeyTZJCQLUFFQTYDV-ZUOKHONESA-N
XLogP3.27
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide with MolForge

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Related Compounds

(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7988567
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7988466
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980651
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980654
N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 46666399
N-(2-cyano-3-methylbutan-2-yl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide
CID 55470443
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 42896909
4-[[(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]amino]benzamide
CID 8980730
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 8981264
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 41084416

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (CID 25491438) is (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is TZJCQLUFFQTYDV-ZUOKHONESA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12(2)20(4,11-21)23-17(25)13(3)27-19-22-16-8-6-5-7-15(16)18(26)24(19)14-9-10-14/h5-8,12-14H,9-10H2,1-4H3,(H,23,25)/t13-,20-/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 384.51 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 25491438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).