4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide

C15H16FNOS — CID 9051637

IUPAC4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H16FNOS/c1-10(2)14(13-4-3-9-19-13)17-15(18)11-5-7-12(16)8-6-11/h3-10,14H,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyKKPOPAOTFGARSQ-CQSZACIVSA-N
MW277.36 g/mol
LogP4.01
Rot. Bonds4

About 4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide

4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide (PubChem CID 9051637) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
PubChem CID9051637
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H16FNOS/c1-10(2)14(13-4-3-9-19-13)17-15(18)11-5-7-12(16)8-6-11/h3-10,14H,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyKKPOPAOTFGARSQ-CQSZACIVSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46613254
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
CID 51498500
4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46613275
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(propan-2-yloxymethyl)benzamide
CID 18226971
3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 55397848
3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051674
2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide
CID 51495335
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide (CID 9051637) is 4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide is CC(C)[C@@H](NC(=O)c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
The InChIKey is KKPOPAOTFGARSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-10(2)14(13-4-3-9-19-13)17-15(18)11-5-7-12(16)8-6-11/h3-10,14H,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide has a molecular weight of 277.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide is sourced from PubChem (CID 9051637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).