2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide

C15H15F2NO4S — CID 99874030

IUPAC2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide
SMILESC[C@@H](Cc1ccoc1)NC(=O)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C15H15F2NO4S/c1-10(8-11-6-7-22-9-11)18-14(19)12-4-2-3-5-13(12)23(20,21)15(16)17/h2-7,9-10,15H,8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyDGESAQLRSLIKGS-JTQLQIEISA-N
MW343.35 g/mol
LogP2.64
Rot. Bonds6

About 2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide

2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide (PubChem CID 99874030) has the molecular formula C15H15F2NO4S and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide
PubChem CID99874030
Molecular FormulaC15H15F2NO4S
Molecular Weight343.35 g/mol
Exact Mass343.07
IUPAC Name2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide
SMILESC[C@@H](Cc1ccoc1)NC(=O)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C15H15F2NO4S/c1-10(8-11-6-7-22-9-11)18-14(19)12-4-2-3-5-13(12)23(20,21)15(16)17/h2-7,9-10,15H,8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyDGESAQLRSLIKGS-JTQLQIEISA-N
XLogP2.64
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-phenylbenzamide
CID 99873173
N-[1-(furan-3-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 121126955
4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide
CID 121127042
2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide
CID 166235306
N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide
CID 121127019
1-[1-(furan-3-yl)propan-2-yl]-3-propylurea
CID 121127163
N-[1-(furan-3-yl)propan-2-yl]-2-phenoxyacetamide
CID 121126979
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide
CID 99873162
1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea
CID 121127180
3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide
CID 99874043
5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 97030221
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide (CID 99874030) is 2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide is C[C@@H](Cc1ccoc1)NC(=O)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide?
The InChIKey is DGESAQLRSLIKGS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15F2NO4S/c1-10(8-11-6-7-22-9-11)18-14(19)12-4-2-3-5-13(12)23(20,21)15(16)17/h2-7,9-10,15H,8H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide?
2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide has a molecular weight of 343.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 99874030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).