(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide

C21H29N3O2S — CID 40681888

IUPAC(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
SMILESCC[C@@H](C)n1c(S[C@H](C)C(=O)NC2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C21H29N3O2S/c1-4-14(2)24-20(26)17-12-8-9-13-18(17)23-21(24)27-15(3)19(25)22-16-10-6-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,22,25)/t14-,15-/m1/s1
InChIKeyLPQUQJDISPIHNM-HUUCEWRRSA-N
MW387.55 g/mol
LogP4.30
Rot. Bonds6

About (2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide

(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide (PubChem CID 40681888) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is (2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
PubChem CID40681888
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
SMILESCC[C@@H](C)n1c(S[C@H](C)C(=O)NC2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C21H29N3O2S/c1-4-14(2)24-20(26)17-12-8-9-13-18(17)23-21(24)27-15(3)19(25)22-16-10-6-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,22,25)/t14-,15-/m1/s1
InChIKeyLPQUQJDISPIHNM-HUUCEWRRSA-N
XLogP4.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
(2S)-N-cyclopentyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329750
N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3620871
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8727328
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 4815367
(2S)-N-cyclopropyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876048
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 2639801
methyl 2-[2-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 7647638
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 2529276
(2R)-N-cycloheptyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8578602

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide?
The IUPAC name of (2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide (CID 40681888) is (2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide.
What is the SMILES notation for (2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide?
The canonical SMILES for (2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide is CC[C@@H](C)n1c(S[C@H](C)C(=O)NC2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of (2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide?
The InChIKey is LPQUQJDISPIHNM-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-4-14(2)24-20(26)17-12-8-9-13-18(17)23-21(24)27-15(3)19(25)22-16-10-6-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,22,25)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide?
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide has a molecular weight of 387.55 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide is sourced from PubChem (CID 40681888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).