N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide

C19H29N3O2S — CID 10428809

IUPACN-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide
SMILESCN(CCOCCNC(=S)NC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H29N3O2S/c1-22(17-10-6-3-7-11-17)13-15-24-14-12-20-19(25)21-18(23)16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H2,20,21,23,25)
InChIKeyHBRMXZZVKFXPPL-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.57
Rot. Bonds8

About N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide

N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide (PubChem CID 10428809) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide
PubChem CID10428809
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide
SMILESCN(CCOCCNC(=S)NC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H29N3O2S/c1-22(17-10-6-3-7-11-17)13-15-24-14-12-20-19(25)21-18(23)16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H2,20,21,23,25)
InChIKeyHBRMXZZVKFXPPL-UHFFFAOYSA-N
XLogP2.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide?
The IUPAC name of N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide (CID 10428809) is N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide.
What is the SMILES notation for N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide?
The canonical SMILES for N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide is CN(CCOCCNC(=S)NC(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide?
The InChIKey is HBRMXZZVKFXPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-22(17-10-6-3-7-11-17)13-15-24-14-12-20-19(25)21-18(23)16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H2,20,21,23,25).
What are the key properties of N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide?
N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide has a molecular weight of 363.53 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[cyclohexyl(methyl)amino]ethoxy]ethylcarbamothioyl]benzamide is sourced from PubChem (CID 10428809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).