2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide

C24H29N5O2S — CID 31274039

IUPAC2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C24H29N5O2S/c30-22(27-21-14-15-25-29(21)18-10-4-5-11-18)16-32-24-26-20-13-7-6-12-19(20)23(31)28(24)17-8-2-1-3-9-17/h6-7,12-15,17-18H,1-5,8-11,16H2,(H,27,30)
InChIKeySZQPNWRSVWFFNU-UHFFFAOYSA-N
MW451.60 g/mol
LogP4.94
Rot. Bonds6

About 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide

2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide (PubChem CID 31274039) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
PubChem CID31274039
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C24H29N5O2S/c30-22(27-21-14-15-25-29(21)18-10-4-5-11-18)16-32-24-26-20-13-7-6-12-19(20)23(31)28(24)17-8-2-1-3-9-17/h6-7,12-15,17-18H,1-5,8-11,16H2,(H,27,30)
InChIKeySZQPNWRSVWFFNU-UHFFFAOYSA-N
XLogP4.94
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 7988602
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 7988603
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 112785733
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 126479001
methyl 4-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1155405
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7989255
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7989252
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 35862431
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 27328561
N-(2-cyclopentylpyrazol-3-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55571044

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide (CID 31274039) is 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide is O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)Nc1ccnn1C1CCCC1.
What is the InChIKey of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The InChIKey is SZQPNWRSVWFFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c30-22(27-21-14-15-25-29(21)18-10-4-5-11-18)16-32-24-26-20-13-7-6-12-19(20)23(31)28(24)17-8-2-1-3-9-17/h6-7,12-15,17-18H,1-5,8-11,16H2,(H,27,30).
What are the key properties of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide?
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide has a molecular weight of 451.60 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide is sourced from PubChem (CID 31274039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).