N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide

C17H21N3OS — CID 2410535

IUPACN-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)NCC1CCCCC1
InChIInChI=1S/C17H21N3OS/c21-16(18-10-13-6-2-1-3-7-13)11-22-17-14-8-4-5-9-15(14)19-12-20-17/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,21)
InChIKeyDAAKRGNLUDBQLJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.42
Rot. Bonds5

About N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide

N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2410535) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2410535
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)NCC1CCCCC1
InChIInChI=1S/C17H21N3OS/c21-16(18-10-13-6-2-1-3-7-13)11-22-17-14-8-4-5-9-15(14)19-12-20-17/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,21)
InChIKeyDAAKRGNLUDBQLJ-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 9203863
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate
CID 91962510
N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9324842
N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
CID 9325504
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2632326
N-(cyclohexylmethyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588869
N-(cyclohexylmethyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 18083188
N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2652585
1-[(2R)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403913

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide (CID 2410535) is N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccccc12)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is DAAKRGNLUDBQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-16(18-10-13-6-2-1-3-7-13)11-22-17-14-8-4-5-9-15(14)19-12-20-17/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,21).
What are the key properties of N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2410535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).