N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide

C17H24N2O2S — CID 46449832

IUPACN-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O2S/c1-19(2)16(20)12-22-15-11-7-6-10-14(15)17(21)18-13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,21)
InChIKeyXFTNJPJRAFCTOB-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.93
Rot. Bonds5

About N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide

N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 46449832) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
PubChem CID46449832
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O2S/c1-19(2)16(20)12-22-15-11-7-6-10-14(15)17(21)18-13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,21)
InChIKeyXFTNJPJRAFCTOB-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-piperidin-4-ylbenzamide
CID 119388889
2-(2-amino-2-oxoethyl)sulfanyl-N-cyclopentylbenzamide
CID 37345038
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9062298
N-cyclopropyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9165626
3-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]amino]propanoic acid
CID 119177043
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-phenylethyl)benzamide
CID 51200205
N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide
CID 55334635
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 46822474
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9069102
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481807

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide (CID 46449832) is N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide is CN(C)C(=O)CSc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is XFTNJPJRAFCTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-19(2)16(20)12-22-15-11-7-6-10-14(15)17(21)18-13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 320.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 46449832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).