2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide

C16H19N3OS — CID 43814889

IUPAC2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc(C2CCCCC2)nc2ccccc12
InChIInChI=1S/C16H19N3OS/c17-14(20)10-21-16-12-8-4-5-9-13(12)18-15(19-16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H2,17,20)
InChIKeyIJABPSXYMOKPJZ-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.25
Rot. Bonds4

About 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide

2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide (PubChem CID 43814889) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
PubChem CID43814889
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc(C2CCCCC2)nc2ccccc12
InChIInChI=1S/C16H19N3OS/c17-14(20)10-21-16-12-8-4-5-9-13(12)18-15(19-16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H2,17,20)
InChIKeyIJABPSXYMOKPJZ-UHFFFAOYSA-N
XLogP3.25
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 1465918
2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1465916
ethyl 2-[[2-(2-cyclohexylquinazolin-4-yl)sulfanylacetyl]amino]acetate
CID 3206394
4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide
CID 24579377
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 24579397
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 24579297
N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide
CID 24579384
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
CID 24579416
ethyl 4-carbamoyl-5-[[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]amino]-2-methylfuran-3-carboxylate
CID 24579313
4-(2-amino-2-oxoethyl)sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
CID 43395879
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
CID 24579327
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24579325

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide (CID 43814889) is 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide is NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12.
What is the InChIKey of 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is IJABPSXYMOKPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-14(20)10-21-16-12-8-4-5-9-13(12)18-15(19-16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H2,17,20).
What are the key properties of 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide?
2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 301.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 43814889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).