[3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate

C20H24N2O3S — CID 154324215

IUPAC[3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate
SMILESCCOCCN(C(=O)Oc1cccc(NC(C)=S)c1)c1cccc(C)c1
InChIInChI=1S/C20H24N2O3S/c1-4-24-12-11-22(18-9-5-7-15(2)13-18)20(23)25-19-10-6-8-17(14-19)21-16(3)26/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,26)
InChIKeyXTYFEHFBMIYURX-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.80
Rot. Bonds7

About [3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate

[3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate (PubChem CID 154324215) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is [3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name[3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate
PubChem CID154324215
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name[3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate
SMILESCCOCCN(C(=O)Oc1cccc(NC(C)=S)c1)c1cccc(C)c1
InChIInChI=1S/C20H24N2O3S/c1-4-24-12-11-22(18-9-5-7-15(2)13-18)20(23)25-19-10-6-8-17(14-19)21-16(3)26/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,26)
InChIKeyXTYFEHFBMIYURX-UHFFFAOYSA-N
XLogP4.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
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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Related Compounds

[3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
CID 54282539
[3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate
CID 154117139
[3-(ethanethioylamino)phenyl] N-(2-bromoethyl)-N-[3-(trifluoromethyl)phenyl]carbamate
CID 57302650
[3-(2-methylpropoxycarbonylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
CID 154122641
[3-(propanethioylamino)phenyl] N-(2-butoxyethyl)-N-(4-methylphenyl)carbamate
CID 154176695
[3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate
CID 22756963
[3-(prop-2-enylcarbamoylamino)phenyl] N-(cyanomethyl)-N-(3-methylphenyl)carbamate
CID 54390288
1-ethyl-3-(3-methoxyphenyl)-1-(3-methylphenyl)urea
CID 108869177
2-(N-acetyl-3-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113167583
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 109009943
[3-(propan-2-yloxycarbonylamino)phenyl] N-(2-bromoethyl)-N-(4-methylphenyl)carbamate
CID 57260750

Frequently Asked Questions

What is the IUPAC name of [3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate?
The IUPAC name of [3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate (CID 154324215) is [3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate.
What is the SMILES notation for [3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate?
The canonical SMILES for [3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate is CCOCCN(C(=O)Oc1cccc(NC(C)=S)c1)c1cccc(C)c1.
What is the InChIKey of [3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate?
The InChIKey is XTYFEHFBMIYURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-24-12-11-22(18-9-5-7-15(2)13-18)20(23)25-19-10-6-8-17(14-19)21-16(3)26/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,26).
What are the key properties of [3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate?
[3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate has a molecular weight of 372.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate is sourced from PubChem (CID 154324215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).