methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate

C15H17NO2S — CID 11022135

IUPACmethyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate
SMILESCOC(=O)NC(CCc1ccccc1)c1cccs1
InChIInChI=1S/C15H17NO2S/c1-18-15(17)16-13(14-8-5-11-19-14)10-9-12-6-3-2-4-7-12/h2-8,11,13H,9-10H2,1H3,(H,16,17)
InChIKeyHBZMZUIVYOMBQK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.78
Rot. Bonds5

About methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate

methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate (PubChem CID 11022135) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate
PubChem CID11022135
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Namemethyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate
SMILESCOC(=O)NC(CCc1ccccc1)c1cccs1
InChIInChI=1S/C15H17NO2S/c1-18-15(17)16-13(14-8-5-11-19-14)10-9-12-6-3-2-4-7-12/h2-8,11,13H,9-10H2,1H3,(H,16,17)
InChIKeyHBZMZUIVYOMBQK-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
2-[(4-methylbenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 4229956
N-(1-phenylpropyl)-2-(2-thienyl)acetamide
CID 6470744
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520
1-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 16192824
N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3792423
1-(3-Phenylpropyl)-3-(thiophen-2-ylmethyl)urea
CID 47125977
2-Thenylamine, N-(alpha-methylphenethyl)-, acetate, (+)-
CID 121570
2-Thenylamine, alpha-benzyl-N-isopropyl-, hydrochloride
CID 3061991

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate?
The IUPAC name of methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate (CID 11022135) is methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate.
What is the SMILES notation for methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate?
The canonical SMILES for methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate is COC(=O)NC(CCc1ccccc1)c1cccs1.
What is the InChIKey of methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate?
The InChIKey is HBZMZUIVYOMBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-18-15(17)16-13(14-8-5-11-19-14)10-9-12-6-3-2-4-7-12/h2-8,11,13H,9-10H2,1H3,(H,16,17).
What are the key properties of methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate?
methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate has a molecular weight of 275.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate is sourced from PubChem (CID 11022135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).