[3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate

C19H23N3O3S — CID 71794298

IUPAC[3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate
SMILESO=C(NCc1cccs1)NC1CCCC(OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H23N3O3S/c23-18(20-13-17-10-5-11-26-17)21-15-8-4-9-16(12-15)25-19(24)22-14-6-2-1-3-7-14/h1-3,5-7,10-11,15-16H,4,8-9,12-13H2,(H,22,24)(H2,20,21,23)
InChIKeyIQFITEUTIVLWPL-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.11
Rot. Bonds5

About [3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate

[3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate (PubChem CID 71794298) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is [3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate.

Molecular Properties

Compound Name[3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate
PubChem CID71794298
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name[3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate
SMILESO=C(NCc1cccs1)NC1CCCC(OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H23N3O3S/c23-18(20-13-17-10-5-11-26-17)21-15-8-4-9-16(12-15)25-19(24)22-14-6-2-1-3-7-14/h1-3,5-7,10-11,15-16H,4,8-9,12-13H2,(H,22,24)(H2,20,21,23)
InChIKeyIQFITEUTIVLWPL-UHFFFAOYSA-N
XLogP4.11
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
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[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate
CID 71794297
[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
CID 95985787
[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985836
[(1R,3S)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985839
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
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[3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate
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[(1R,2R,4aR,5S,6R,8aR)-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] N-phenylcarbamate
CID 163101672
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960
[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of [3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate?
The IUPAC name of [3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate (CID 71794298) is [3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate.
What is the SMILES notation for [3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate?
The canonical SMILES for [3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate is O=C(NCc1cccs1)NC1CCCC(OC(=O)Nc2ccccc2)C1.
What is the InChIKey of [3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate?
The InChIKey is IQFITEUTIVLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-18(20-13-17-10-5-11-26-17)21-15-8-4-9-16(12-15)25-19(24)22-14-6-2-1-3-7-14/h1-3,5-7,10-11,15-16H,4,8-9,12-13H2,(H,22,24)(H2,20,21,23).
What are the key properties of [3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate?
[3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate has a molecular weight of 373.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 71794298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).