N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide

C19H24N2O3S — CID 78786626

IUPACN-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide
SMILESCN(C(=O)CSCCN1C(=O)c2ccccc2C1=O)C1CCCCC1
InChIInChI=1S/C19H24N2O3S/c1-20(14-7-3-2-4-8-14)17(22)13-25-12-11-21-18(23)15-9-5-6-10-16(15)19(21)24/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3
InChIKeyKZPXUAYKYRAAGD-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.81
Rot. Bonds6

About N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide

N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide (PubChem CID 78786626) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide
PubChem CID78786626
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide
SMILESCN(C(=O)CSCCN1C(=O)c2ccccc2C1=O)C1CCCCC1
InChIInChI=1S/C19H24N2O3S/c1-20(14-7-3-2-4-8-14)17(22)13-25-12-11-21-18(23)15-9-5-6-10-16(15)19(21)24/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3
InChIKeyKZPXUAYKYRAAGD-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea
CID 108889348
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N-(cyclopentylmethyl)-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 86868528
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408620
N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide
CID 27670598
N-cyclohexyl-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 7398913
(2-anilino-2-oxoethyl) 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739318
2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione
CID 2093701
2-[2-(3-hydroxypropylsulfanyl)ethyl]isoindole-1,3-dione
CID 66115003
2-(2-chlorophenyl)-N-cyclopentyl-N-methylacetamide
CID 166712612
N-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-methylacetamide
CID 28632690
N-cyclopentyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide
CID 51268360

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide (CID 78786626) is N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide is CN(C(=O)CSCCN1C(=O)c2ccccc2C1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide?
The InChIKey is KZPXUAYKYRAAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-20(14-7-3-2-4-8-14)17(22)13-25-12-11-21-18(23)15-9-5-6-10-16(15)19(21)24/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3.
What are the key properties of N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide?
N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide has a molecular weight of 360.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 78786626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).