N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C19H23N3O2S — CID 8979979

IUPACN-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CC1)NC1CCCCC1
InChIInChI=1S/C19H23N3O2S/c23-17(20-13-6-2-1-3-7-13)12-25-19-21-16-9-5-4-8-15(16)18(24)22(19)14-10-11-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,20,23)
InChIKeyPJSXYIDLYMUGHY-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.27
Rot. Bonds5

About N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 8979979) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID8979979
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CC1)NC1CCCCC1
InChIInChI=1S/C19H23N3O2S/c23-17(20-13-6-2-1-3-7-13)12-25-19-21-16-9-5-4-8-15(16)18(24)22(19)14-10-11-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,20,23)
InChIKeyPJSXYIDLYMUGHY-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980360
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 35862431
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-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7989255
N-cycloheptyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4822867
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 2216145
2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 2440467
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
N-cycloheptyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515508

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 8979979) is N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is PJSXYIDLYMUGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-17(20-13-6-2-1-3-7-13)12-25-19-21-16-9-5-4-8-15(16)18(24)22(19)14-10-11-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,20,23).
What are the key properties of N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 357.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 8979979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).