3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide

C14H15NO2S — CID 7918037

IUPAC3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESCOc1cccc(C(=O)N[C@H](C)c2cccs2)c1
InChIInChI=1S/C14H15NO2S/c1-10(13-7-4-8-18-13)15-14(16)11-5-3-6-12(9-11)17-2/h3-10H,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyXXGMMFKQBIQPLX-SNVBAGLBSA-N
MW261.35 g/mol
LogP3.25
Rot. Bonds4

About 3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide

3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide (PubChem CID 7918037) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
PubChem CID7918037
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESCOc1cccc(C(=O)N[C@H](C)c2cccs2)c1
InChIInChI=1S/C14H15NO2S/c1-10(13-7-4-8-18-13)15-14(16)11-5-3-6-12(9-11)17-2/h3-10H,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyXXGMMFKQBIQPLX-SNVBAGLBSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-methoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 78985127
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
3-(methoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 31110060
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
2-fluoro-4-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 27754688
2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27754373
3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408549
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051674

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide (CID 7918037) is 3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide is COc1cccc(C(=O)N[C@H](C)c2cccs2)c1.
What is the InChIKey of 3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is XXGMMFKQBIQPLX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10(13-7-4-8-18-13)15-14(16)11-5-3-6-12(9-11)17-2/h3-10H,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 261.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 7918037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).