2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide

C20H27N3O2S — CID 1071921

IUPAC2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C20H27N3O2S/c1-3-22(4-2)18(24)14-26-20-21-17-13-9-8-12-16(17)19(25)23(20)15-10-6-5-7-11-15/h8-9,12-13,15H,3-7,10-11,14H2,1-2H3
InChIKeyXTCPRKCBNFWQSM-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.86
Rot. Bonds6

About 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide

2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 1071921) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
PubChem CID1071921
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C20H27N3O2S/c1-3-22(4-2)18(24)14-26-20-21-17-13-9-8-12-16(17)19(25)23(20)15-10-6-5-7-11-15/h8-9,12-13,15H,3-7,10-11,14H2,1-2H3
InChIKeyXTCPRKCBNFWQSM-UHFFFAOYSA-N
XLogP3.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 8980002
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 8981515
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
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
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46668886
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-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7989255
N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3245927
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7989252

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide (CID 1071921) is 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1.
What is the InChIKey of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is XTCPRKCBNFWQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-22(4-2)18(24)14-26-20-21-17-13-9-8-12-16(17)19(25)23(20)15-10-6-5-7-11-15/h8-9,12-13,15H,3-7,10-11,14H2,1-2H3.
What are the key properties of 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide?
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 373.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 1071921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).