tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate

C19H24N2O3S — CID 55907611

IUPACtert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate
SMILESCCC(NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1cccs1
InChIInChI=1S/C19H24N2O3S/c1-5-15(16-10-7-11-25-16)21-17(22)13-8-6-9-14(12-13)20-18(23)24-19(2,3)4/h6-12,15H,5H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyXNMCYIZLCHODDG-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.98
Rot. Bonds5

About tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate

tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate (PubChem CID 55907611) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate
PubChem CID55907611
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Nametert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate
SMILESCCC(NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1cccs1
InChIInChI=1S/C19H24N2O3S/c1-5-15(16-10-7-11-25-16)21-17(22)13-8-6-9-14(12-13)20-18(23)24-19(2,3)4/h6-12,15H,5H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyXNMCYIZLCHODDG-UHFFFAOYSA-N
XLogP4.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
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tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
CID 139196938
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate
CID 66338688
tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate
CID 43021913
tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate
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tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 47043413
tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
CID 9191948

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate (CID 55907611) is tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate is CCC(NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1cccs1.
What is the InChIKey of tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate?
The InChIKey is XNMCYIZLCHODDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-5-15(16-10-7-11-25-16)21-17(22)13-8-6-9-14(12-13)20-18(23)24-19(2,3)4/h6-12,15H,5H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate?
tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate has a molecular weight of 360.48 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 55907611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).