tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate

C18H23NO2S — CID 57088492

IUPACtert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(Cc1ccccc1)c1ccsc1
InChIInChI=1S/C18H23NO2S/c1-18(2,3)21-17(20)19-12-16(15-9-10-22-13-15)11-14-7-5-4-6-8-14/h4-10,13,16H,11-12H2,1-3H3,(H,19,20)
InChIKeyUXYXHUYZUYLYFD-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.60
Rot. Bonds5

About tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate

tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate (PubChem CID 57088492) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate
PubChem CID57088492
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Nametert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(Cc1ccccc1)c1ccsc1
InChIInChI=1S/C18H23NO2S/c1-18(2,3)21-17(20)19-12-16(15-9-10-22-13-15)11-14-7-5-4-6-8-14/h4-10,13,16H,11-12H2,1-3H3,(H,19,20)
InChIKeyUXYXHUYZUYLYFD-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),5,13,15-pentaene-10-carboxylate
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Ethyl 6-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),4,13,15-pentaene-10-carboxylate
CID 127035829
Tert-butyl (2-(3,5-difluorophenyl)-2-(phenylthio)ethyl)carbamate
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Tert-butyl 3-[(3-thiophen-2-ylphenyl)methylamino]azetidine-1-carboxylate
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tert-butyl N-[(3R)-3-[4-[[(4-fluorophenyl)-thiophen-3-ylmethyl]amino]piperidin-1-yl]butyl]carbamate
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tert-butyl N-[(2R)-2-(2-fluorophenyl)-4-[[(2R)-3-(methylamino)-3-oxo-2-thiophen-2-ylpropyl]amino]-4-oxobutyl]carbamate
CID 69720128
[2-(5-Fluoro-benzo[b]thiophen-3-yl)-ethyl]-carbamic acid ethyl ester
CID 89964025
tert-butyl N-[[3-fluoro-5-(3-methylsulfanyl-5-phenylphenyl)sulfanylthiophen-2-yl]methyl]carbamate
CID 130358110
tert-butyl N-[2-(7-fluoro-1-benzothiophen-5-yl)ethyl]carbamate
CID 142472771
tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate
CID 142472947
tert-butyl N-[2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethyl]carbamate
CID 142472995
tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate (CID 57088492) is tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate is CC(C)(C)OC(=O)NCC(Cc1ccccc1)c1ccsc1.
What is the InChIKey of tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate?
The InChIKey is UXYXHUYZUYLYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-18(2,3)21-17(20)19-12-16(15-9-10-22-13-15)11-14-7-5-4-6-8-14/h4-10,13,16H,11-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate?
tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate has a molecular weight of 317.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-phenyl-2-thiophen-3-ylpropyl)carbamate is sourced from PubChem (CID 57088492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).