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

C22H28N4O3S — CID 35862431

IUPAC2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)NC(=O)NC1CCCC1
InChIInChI=1S/C22H28N4O3S/c27-19(25-21(29)23-15-8-4-5-9-15)14-30-22-24-18-13-7-6-12-17(18)20(28)26(22)16-10-2-1-3-11-16/h6-7,12-13,15-16H,1-5,8-11,14H2,(H2,23,25,27,29)
InChIKeyJPTLQDBOSKOITE-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.76
Rot. Bonds5

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

2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 35862431) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
PubChem CID35862431
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)NC(=O)NC1CCCC1
InChIInChI=1S/C22H28N4O3S/c27-19(25-21(29)23-15-8-4-5-9-15)14-30-22-24-18-13-7-6-12-17(18)20(28)26(22)16-10-2-1-3-11-16/h6-7,12-13,15-16H,1-5,8-11,14H2,(H2,23,25,27,29)
InChIKeyJPTLQDBOSKOITE-UHFFFAOYSA-N
XLogP3.76
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980360
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
N-(cyclohexylcarbamoyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2627144
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
N-(cyclopentylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7465795
3-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864
N-butan-2-yl-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51141133
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7988471
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 17430885
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 126479001
N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3245927

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide (CID 35862431) is 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide is O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)NC(=O)NC1CCCC1.
What is the InChIKey of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is JPTLQDBOSKOITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c27-19(25-21(29)23-15-8-4-5-9-15)14-30-22-24-18-13-7-6-12-17(18)20(28)26(22)16-10-2-1-3-11-16/h6-7,12-13,15-16H,1-5,8-11,14H2,(H2,23,25,27,29).
What are the key properties of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 428.56 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 35862431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).