N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide

C20H27N3OS — CID 1465918

IUPACN-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12
InChIInChI=1S/C20H27N3OS/c1-20(2,3)23-17(24)13-25-19-15-11-7-8-12-16(15)21-18(22-19)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,24)
InChIKeyOXKFGJDMLFAXES-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.68
Rot. Bonds4

About N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide

N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1465918) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
PubChem CID1465918
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12
InChIInChI=1S/C20H27N3OS/c1-20(2,3)23-17(24)13-25-19-15-11-7-8-12-16(15)21-18(22-19)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,24)
InChIKeyOXKFGJDMLFAXES-UHFFFAOYSA-N
XLogP4.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(2-cyclohexylquinazolin-4-yl)sulfanylacetyl]amino]acetate
CID 3206394
2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 43814889
2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1465916
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide
CID 24579384
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 24579297
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
CID 24579416
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
CID 24579327
ethyl 4-carbamoyl-5-[[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]amino]-2-methylfuran-3-carboxylate
CID 24579313
N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1435013
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide (CID 1465918) is N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide is CC(C)(C)NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12.
What is the InChIKey of N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is OXKFGJDMLFAXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-20(2,3)23-17(24)13-25-19-15-11-7-8-12-16(15)21-18(22-19)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,24).
What are the key properties of N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide?
N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 357.52 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1465918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).