1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea

C15H18N2O2S — CID 97414533

IUPAC1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
SMILESCO[C@@H](CNC(=O)NCc1ccccc1)c1ccsc1
InChIInChI=1S/C15H18N2O2S/c1-19-14(13-7-8-20-11-13)10-17-15(18)16-9-12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyLPSPPLXXYBHPSE-AWEZNQCLSA-N
MW290.39 g/mol
LogP2.93
Rot. Bonds6

About 1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea

1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea (PubChem CID 97414533) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
PubChem CID97414533
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
SMILESCO[C@@H](CNC(=O)NCc1ccccc1)c1ccsc1
InChIInChI=1S/C15H18N2O2S/c1-19-14(13-7-8-20-11-13)10-17-15(18)16-9-12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyLPSPPLXXYBHPSE-AWEZNQCLSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414515
1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97417096
1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 71804806
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960
1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584205
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide
CID 90583951
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea (CID 97414533) is 1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea is CO[C@@H](CNC(=O)NCc1ccccc1)c1ccsc1.
What is the InChIKey of 1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea?
The InChIKey is LPSPPLXXYBHPSE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-14(13-7-8-20-11-13)10-17-15(18)16-9-12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3,(H2,16,17,18)/t14-/m0/s1.
What are the key properties of 1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea?
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea has a molecular weight of 290.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 97414533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).