3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide

C16H17F2NO2S — CID 9051674

IUPAC3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(OC(F)F)c1)c1cccs1
InChIInChI=1S/C16H17F2NO2S/c1-10(2)14(13-7-4-8-22-13)19-15(20)11-5-3-6-12(9-11)21-16(17)18/h3-10,14,16H,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyDPMQJZYJCWRCQK-AWEZNQCLSA-N
MW325.38 g/mol
LogP4.48
Rot. Bonds6

About 3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide

3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide (PubChem CID 9051674) has the molecular formula C16H17F2NO2S and a molecular weight of 325.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
PubChem CID9051674
Molecular FormulaC16H17F2NO2S
Molecular Weight325.38 g/mol
Exact Mass325.09
IUPAC Name3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(OC(F)F)c1)c1cccs1
InChIInChI=1S/C16H17F2NO2S/c1-10(2)14(13-7-4-8-22-13)19-15(20)11-5-3-6-12(9-11)21-16(17)18/h3-10,14,16H,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyDPMQJZYJCWRCQK-AWEZNQCLSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
N-(2-methyl-1-thiophen-2-ylpropyl)-3-nitrobenzamide
CID 46691946
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 103926956
N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
CID 55032759
3-(1-thiophen-2-ylethoxy)benzoic acid
CID 82037598
3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 55397848
2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide
CID 51495335
3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691945

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide (CID 9051674) is 3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide is CC(C)[C@H](NC(=O)c1cccc(OC(F)F)c1)c1cccs1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
The InChIKey is DPMQJZYJCWRCQK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17F2NO2S/c1-10(2)14(13-7-4-8-22-13)19-15(20)11-5-3-6-12(9-11)21-16(17)18/h3-10,14,16H,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide has a molecular weight of 325.38 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide is sourced from PubChem (CID 9051674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).