N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide

C22H29N3O2S — CID 8981515

IUPACN-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1C1CC1)C1CCCCC1
InChIInChI=1S/C22H29N3O2S/c1-15(2)24(16-8-4-3-5-9-16)20(26)14-28-22-23-19-11-7-6-10-18(19)21(27)25(22)17-12-13-17/h6-7,10-11,15-17H,3-5,8-9,12-14H2,1-2H3
InChIKeyDAHSSOROACNOPQ-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.39
Rot. Bonds6

About N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide

N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 8981515) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
PubChem CID8981515
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1C1CC1)C1CCCCC1
InChIInChI=1S/C22H29N3O2S/c1-15(2)24(16-8-4-3-5-9-16)20(26)14-28-22-23-19-11-7-6-10-18(19)21(27)25(22)17-12-13-17/h6-7,10-11,15-17H,3-5,8-9,12-14H2,1-2H3
InChIKeyDAHSSOROACNOPQ-UHFFFAOYSA-N
XLogP4.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 8980002
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 51217015
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8981389
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46668886
N-butan-2-yl-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51141133
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 17430885
(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 7988544
3-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864
3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide
CID 27191122

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide (CID 8981515) is N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1C1CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is DAHSSOROACNOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-15(2)24(16-8-4-3-5-9-16)20(26)14-28-22-23-19-11-7-6-10-18(19)21(27)25(22)17-12-13-17/h6-7,10-11,15-17H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 399.56 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 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)sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 8981515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).