N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide

C19H28N2O3S — CID 4883700

IUPACN-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C19H28N2O3S/c1-24-12-11-20-18(22)14-25-17-10-6-5-9-16(17)19(23)21-13-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyJSENGWUPHROPFO-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.85
Rot. Bonds9

About N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide

N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 4883700) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
PubChem CID4883700
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C19H28N2O3S/c1-24-12-11-20-18(22)14-25-17-10-6-5-9-16(17)19(23)21-13-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyJSENGWUPHROPFO-UHFFFAOYSA-N
XLogP2.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide (CID 4883700) is N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide is COCCNC(=O)CSc1ccccc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is JSENGWUPHROPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-24-12-11-20-18(22)14-25-17-10-6-5-9-16(17)19(23)21-13-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 364.51 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 4883700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).